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CAS 1071567-87-7 3-(benzylamino)-2-methyl-1-propanol hydrochloride molecular structure lightbox
CAS RN: 1071567-87-7

3-(benzylamino)-2-methyl-1-propanol hydrochloride

  • Product code: SSC-008615
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1071567-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1071567-87-7 / 3-(benzylamino)-2-methylpropan-1-ol;hydrochloride

3-(Benzylamino)-2-methylpropan-1-ol hydrochloride | 3-(Benzylamino)-2-methyl-1-propanol hydrochloride | MFCD13186622

Standard CAS: 1071567-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1071567-87-7
Multi CAS
No
Molecular Formula
C11H18ClNO
Molecular Weight
215.720000
Exact Mass
215.107692
SMILES
CC(CNCC1=CC=CC=C1)CO.Cl
InChI
InChI=1S/C11H17NO.ClH/c1-10(9-13)7-12-8-11-5-3-2-4-6-11;/h2-6,10,12-13H,7-9H2,1H3;1H
InChIKey
ACLOFZRSFNGDRX-UHFFFAOYSA-N
Synonyms
3-(Benzylamino)-2-methylpropan-1-ol hydrochloride 3-(Benzylamino)-2-methyl-1-propanol hydrochloride MFCD13186622 3-(benzylamino)-2-methylpropan-1-ol;hydrochloride AKOS027426028

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.65
TPSA
32.26

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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