CAS RN: 1134699-45-8
1-(2-Chlorophenyl)cyclopropanaMine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250122 | 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1134699-45-8
- Purity/Analytical Methods: >99.0%
1134699-45-8 / 1-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride
1-(2-Chlorophenyl)cyclopropanamine hydrochloride | 1-(2-Chlorophenyl)cyclopropan-1-amine hydrochloride | RefChem:421907
Basic Information
CAS
1134699-45-8
Multi CAS
No
Molecular Formula
C9H11Cl2N
Molecular Weight
204.090000
Exact Mass
203.026855
SMILES
C1CC1(C2=CC=CC=C2Cl)N.Cl
InChI
InChI=1S/C9H10ClN.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
InChIKey
ZWSHFWNTCCKFHL-UHFFFAOYSA-N
Synonyms
1-(2-Chlorophenyl)cyclopropanamine hydrochloride
1-(2-Chlorophenyl)cyclopropan-1-amine hydrochloride
RefChem:421907
800-676-4
865-768-9
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.8
TPSA
26.02
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H315 (100%): Causes skin irritation [Warning Skin corrosion/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
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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