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Chemistry
Heterocyclic Building Blocks
Pyrrolidines
tert-butyl pyrrolidin-3-ylcarbamate
tert-Butyl ((3R,4R)-4-hydroxypyrrolidin-3-yl)carbamate hydrochloride
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyrrolidines
Amides Alcohols Aliphatic Heterocycles Carbamates
tert-butyl pyrrolidin-3-ylcarbamate
pyrrolidin-3-ol

[ CAS No. 1820575-70-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1820575-70-9
Chemical Structure| 1820575-70-9
Structure of 1820575-70-9 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1820575-70-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 1820575-70-9 ]

Product Details of [ 1820575-70-9 ]

CAS No. :1820575-70-9 MDL No. :MFCD28038712
Formula : C9H19ClN2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :UYFVSDFSFICTSZ-ZJLYAJKPSA-N
M.W : 238.71 Pubchem ID :75531146
Synonyms :

Calculated chemistry of [ 1820575-70-9 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 62.62
TPSA : 70.59 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) : -7.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.52
Log Po/w (WLOGP) : 0.27
Log Po/w (MLOGP) : 0.03
Log Po/w (SILICOS-IT) : -0.31
Consensus Log Po/w : 0.1

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.38
Solubility : 9.87 mg/ml ; 0.0413 mol/l
Class : Very soluble
Log S (Ali) : -1.57
Solubility : 6.38 mg/ml ; 0.0267 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.96
Solubility : 26.1 mg/ml ; 0.109 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.19

Safety of [ 1820575-70-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Tags: 1820575-70-9 synthesis path| 1820575-70-9 SDS| 1820575-70-9 COA| 1820575-70-9 purity| 1820575-70-9 application| 1820575-70-9 NMR| 1820575-70-9 COA| 1820575-70-9 structure

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Chemistry
Heterocyclic Building Blocks
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tert-butyl pyrrolidin-3-ylcarbamate
Chemistry
Heterocyclic Building Blocks
Pyrrolidines
pyrrolidin-3-ol
Chemistry
Organic Building Blocks
Amides
Chemistry
Organic Building Blocks
Alcohols
Chemistry
Heterocyclic Building Blocks
Aliphatic Heterocycles
Chemistry
Organic Building Blocks
Carbamates
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