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CAS 1400877-64-6 1-(AMinoMethyl)-cyclopropaneMethanol HCl molecular structure lightbox
CAS RN: 1400877-64-6

1-(AMinoMethyl)-cyclopropaneMethanol HCl

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Batchno.20250304 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1400877-64-6
  • Purity/Analytical Methods: >99.0%
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1400877-64-6 / [1-(aminomethyl)cyclopropyl]methanol;hydrochloride

Standard CAS: 1400877-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1400877-64-6
Multi CAS
No
Molecular Formula
C5H12ClNO
Molecular Weight
137.610000
Exact Mass
137.060742
SMILES
C1CC1(CN)CO.Cl
InChI
InChI=1S/C5H11NO.ClH/c6-3-5(4-7)1-2-5;/h7H,1-4,6H2;1H
InChIKey
MYMUBSZORRNFRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.06
TPSA
46.25

LogP / Solubility

WLOGP
0.14
MLOGP
0.12
XLogP3
0.14
Consensus LogP
0.13
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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