Home Cart 0 Sign in  
X

[ CAS No. 153209-97-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 153209-97-3
Chemical Structure| 153209-97-3
Chemical Structure| 153209-97-3
Structure of 153209-97-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 153209-97-3 ]

Related Doc. of [ 153209-97-3 ]

Alternatived Products of [ 153209-97-3 ]
Product Citations

Product Details of [ 153209-97-3 ]

CAS No. :153209-97-3 MDL No. :MFCD08703640
Formula : C5H11NO Boiling Point : -
Linear Structure Formula :- InChI Key :MCPRXSXYXHMCKF-UHFFFAOYSA-N
M.W : 101.15 Pubchem ID :15789550
Synonyms :

Calculated chemistry of [ 153209-97-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 27.57
TPSA : 35.25 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.43
Log Po/w (XLOGP3) : -0.44
Log Po/w (WLOGP) : -0.02
Log Po/w (MLOGP) : -0.16
Log Po/w (SILICOS-IT) : 0.86
Consensus Log Po/w : 0.33

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.12
Solubility : 76.0 mg/ml ; 0.752 mol/l
Class : Very soluble
Log S (Ali) : 0.17
Solubility : 148.0 mg/ml ; 1.46 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.8
Solubility : 16.2 mg/ml ; 0.16 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 153209-97-3 ]

Signal Word:Danger Class:8,3
Precautionary Statements:P201-P261-P280-P301+P310-P301+P330+P331-P302+P350-P304+P340-P305+P351+P338-P310 UN#:2734
Hazard Statements:H226-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 153209-97-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 153209-97-3 ]
  • Downstream synthetic route of [ 153209-97-3 ]

[ 153209-97-3 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 3143-02-0 ]
  • [ 153209-97-3 ]
Reference: [1] Angewandte Chemie - International Edition, 2008, vol. 47, # 45, p. 8661 - 8664
  • 2
  • [ 90683-29-7 ]
  • [ 153209-97-3 ]
Reference: [1] European Journal of Inorganic Chemistry, 1998, # 6, p. 675 - 692
[2] Patent: US2009/76062, 2009, A1, . Location in patent: Page/Page column 19
  • 3
  • [ 153004-74-1 ]
  • [ 153209-97-3 ]
Reference: [1] Journal of Organic Chemistry, 2000, vol. 65, # 7, p. 2253 - 2256
[2] Chemical Communications, 1998, # 1, p. 43 - 44
  • 4
  • [ 3864-43-5 ]
  • [ 153209-97-3 ]
Reference: [1] European Journal of Inorganic Chemistry, 1998, # 6, p. 675 - 692
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 153209-97-3 ]

Amines

Chemical Structure| 6246-05-5

[ 6246-05-5 ]

Oxetan-3-ylmethanamine

Similarity: 0.95

Chemical Structure| 165253-31-6

[ 165253-31-6 ]

(Tetrahydrofuran-3-yl)methanamine

Similarity: 0.68

Chemical Structure| 1048962-84-0

[ 1048962-84-0 ]

(S)-(Tetrahydrofuran-3-yl)methanamine

Similarity: 0.68

Chemical Structure| 184950-35-4

[ 184950-35-4 ]

(Tetrahydrofuran-3-yl)methanamine hydrochloride

Similarity: 0.65

Chemical Structure| 39067-45-3

[ 39067-45-3 ]

3-(Diethylamino)-2,2-dimethylpropan-1-ol

Similarity: 0.63

Related Parent Nucleus of
[ 153209-97-3 ]

Aliphatic Heterocycles

Chemical Structure| 6246-05-5

[ 6246-05-5 ]

Oxetan-3-ylmethanamine

Similarity: 0.95

Chemical Structure| 174-78-7

[ 174-78-7 ]

2-Oxa-6-azaspiro[3.3]heptane

Similarity: 0.83

Chemical Structure| 942308-06-7

[ 942308-06-7 ]

3-(Methoxymethyl)azetidine hydrochloride

Similarity: 0.71

Chemical Structure| 165253-31-6

[ 165253-31-6 ]

(Tetrahydrofuran-3-yl)methanamine

Similarity: 0.68

Chemical Structure| 184950-35-4

[ 184950-35-4 ]

(Tetrahydrofuran-3-yl)methanamine hydrochloride

Similarity: 0.65

Oxetanes

Chemical Structure| 6246-05-5

[ 6246-05-5 ]

Oxetan-3-ylmethanamine

Similarity: 0.95

Chemical Structure| 174-78-7

[ 174-78-7 ]

2-Oxa-6-azaspiro[3.3]heptane

Similarity: 0.83

Chemical Structure| 3143-02-0

[ 3143-02-0 ]

3-Methyl-3-oxetanemethanol

Similarity: 0.65

Chemical Structure| 874473-14-0

[ 874473-14-0 ]

3-Methyloxetan-3-amine

Similarity: 0.63

Chemical Structure| 1045709-32-7

[ 1045709-32-7 ]

2-Oxa-6-azaspiro[3.3]heptane oxalate (2:1)

Similarity: 0.61