[email protected]
CAS 121187-63-1 cyclopentane-1,2-diamine dihydrochloride molecular structure lightbox
CAS RN: 121187-63-1

cyclopentane-1,2-diamine dihydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS121187-63-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

121187-63-1 / cyclopentane-1,2-diamine;dihydrochloride

cyclopentane-1,2-diamine dihydrochloride | RefChem:580962 | 832-401-9

Standard CAS: 121187-63-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121187-63-1
Multi CAS
No
Molecular Formula
C5H14Cl2N2
Molecular Weight
173.080000
Exact Mass
172.053404
SMILES
C1CC(C(C1)N)N.Cl.Cl
InChI
InChI=1S/C5H12N2.2ClH/c6-4-2-1-3-5(4)7;;/h4-5H,1-3,6-7H2;2*1H
InChIKey
VZCLGIZICFQJBX-UHFFFAOYSA-N
Synonyms
cyclopentane-1,2-diamine dihydrochloride RefChem:580962 832-401-9 cyclopentane-1,2-diamine;dihydrochloride Cyclopentane-1,2-diamine 2HCl

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.3
TPSA
52.04

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
0.67
Consensus LogP
0.64
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
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)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
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 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

Customers Also Viewed

Get In Touch

Contact Us