Home Cart 0 Sign in  

[ CAS No. 27578-60-5 ] {[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+
Chemical Structure| 27578-60-5
Chemical Structure| 27578-60-5
Structure of 27578-60-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 27578-60-5 ]

Related Doc. of [ 27578-60-5 ]

Alternatived Products of [ 27578-60-5 ]

Product Details of [ 27578-60-5 ]

CAS No. :27578-60-5 MDL No. :MFCD00006516
Formula : C7H16N2 Boiling Point : -
Linear Structure Formula :- InChI Key :CJNRGSHEMCMUOE-UHFFFAOYSA-N
M.W :128.22 Pubchem ID :33944
Synonyms :

Calculated chemistry of [ 27578-60-5 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.17
TPSA : 29.26 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) : -6.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.97
Log Po/w (XLOGP3) : 0.44
Log Po/w (WLOGP) : 0.05
Log Po/w (MLOGP) : 0.57
Log Po/w (SILICOS-IT) : 0.83
Consensus Log Po/w : 0.77

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.78
Solubility : 21.3 mg/ml ; 0.166 mol/l
Class : Very soluble
Log S (Ali) : -0.62
Solubility : 30.6 mg/ml ; 0.239 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.01
Solubility : 12.4 mg/ml ; 0.0966 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.01

Safety of [ 27578-60-5 ]

Signal Word:Danger Class:8,3
Precautionary Statements:P280-P305+P351+P338-P310 UN#:2734
Hazard Statements:H226-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 27578-60-5 ]

* 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 [ 27578-60-5 ]
  • Downstream synthetic route of [ 27578-60-5 ]

[ 27578-60-5 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 110-89-4 ]
  • [ 27578-60-5 ]
  • [ 24424-99-5 ]
  • [ 75844-69-8 ]
Reference: [1] Journal of Organic Chemistry, 2011, vol. 76, # 17, p. 7132 - 7140
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 27578-60-5 ]

Amines

Chemical Structure| 100911-49-7

[ 100911-49-7 ]

2-(Piperidin-1-yl)ethanamine dihydrochloride

Similarity: 0.95

Chemical Structure| 1001353-92-9

[ 1001353-92-9 ]

(R)-1-Methylpiperidin-3-amine

Similarity: 0.86

Chemical Structure| 902152-76-5

[ 902152-76-5 ]

(S)-1-Methylpiperidin-3-amine

Similarity: 0.86

Chemical Structure| 7154-73-6

[ 7154-73-6 ]

Pyrrolidinoethylamine

Similarity: 0.85

Chemical Structure| 1116-76-3

[ 1116-76-3 ]

Trioctylamine

Similarity: 0.84

Related Parent Nucleus of
[ 27578-60-5 ]

Piperidines

Chemical Structure| 100911-49-7

[ 100911-49-7 ]

2-(Piperidin-1-yl)ethanamine dihydrochloride

Similarity: 0.95

Chemical Structure| 1001353-92-9

[ 1001353-92-9 ]

(R)-1-Methylpiperidin-3-amine

Similarity: 0.86

Chemical Structure| 902152-76-5

[ 902152-76-5 ]

(S)-1-Methylpiperidin-3-amine

Similarity: 0.86

Chemical Structure| 1157849-51-8

[ 1157849-51-8 ]

(S)-1-Methylpiperidin-3-amine dihydrochloride

Similarity: 0.83

Chemical Structure| 14759-09-2

[ 14759-09-2 ]

1-(2-(Piperidin-4-yl)ethyl)piperidine

Similarity: 0.81