CAS RN: 14149-00-9
(S)-1,2-Diphenylethanaminehydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250911 | 100mg | Out of stock | 8-10 business days | Inquiry |
14149-00-9 / (1S)-1,2-diphenylethanamine;hydrochloride
(S)-1,2-DIPHENYLETHANAMINE HYDROCHLORIDE | (S)-1,2-Diphenylethan-1-amine hydrochloride | (1S)-1,2-diphenylethanamine;hydrochloride
Basic Information
CAS
14149-00-9
Multi CAS
Yes
Molecular Formula
C14H16CLN
Molecular Weight
233.730000
Exact Mass
233.097127
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)N.Cl
InChI
InChI=1S/C14H15N.ClH/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10,14H,11,15H2;1H/t14-;/m0./s1
InChIKey
HIRAKLKRABLDCV-UQKRIMTDSA-N
Synonyms
(S)-1,2-DIPHENYLETHANAMINE HYDROCHLORIDE
(S)-1,2-Diphenylethan-1-amine hydrochloride
(1S)-1,2-diphenylethanamine;hydrochloride
CS-0372169
E82757
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.76
TPSA
26.02
LogP / Solubility
WLOGP
3.35
MLOGP
2.95
XLogP3
3.35
Consensus LogP
3.22
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
![CAS 141-17-3 BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/141-17-3.gif)