CAS RN: 1167414-87-0
(R)-(+)-1-(4-CHLOROPHENYL)ETHYLAMINE-HCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1167414-87-0
- Purity/Analytical Methods: >99.0%
1167414-87-0 / (1R)-1-(4-chlorophenyl)ethanamine;hydrochloride
1-(4-Chlorophenyl)ethanamine HCl | 1-(4-Chlorophenyl)ethanamine hydrochloride | 1-(4-chlorophenyl)ethan-1-amine hydrochloride
Basic Information
CAS
1167414-87-0
Multi CAS
Yes
Molecular Formula
C8H11Cl2N
Molecular Weight
192.080000
Exact Mass
191.026855
SMILES
C[C@H](C1=CC=C(C=C1)Cl)N.Cl
InChI
InChI=1S/C8H10ClN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H/t6-;/m1./s1
InChIKey
BADVPOKOZMYLPI-FYZOBXCZSA-N
Synonyms
1-(4-Chlorophenyl)ethanamine HCl
1-(4-Chlorophenyl)ethanamine hydrochloride
1-(4-chlorophenyl)ethan-1-amine hydrochloride
1-(4-chlorophenyl)ethanamine;hydrochloride
MFCD22421531
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.3
TPSA
26.02
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.78
Consensus LogP
2.67
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
