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CAS 1761-71-3 4,4′-Methylenebis(cyclohexylamine) (mixture of isomers) molecular structure lightbox
CAS RN: 1761-71-3

4,4′-Methylenebis(cyclohexylamine) (mixture of isomers)

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260513 1kg In stock Shanghai, Wuhan Inquiry
Batchno.20250325 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260220 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: ICTM0699
  • Purity/Analytical Methods: >97.0%(GC)(T)
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1761-71-3 / 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine

Standard CAS: 1761-71-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1761-71-3
Multi CAS
No
Molecular Formula
C13H26N2
Molecular Weight
210.360000
Exact Mass
210.209599
SMILES
C1CC(CCC1CC2CCC(CC2)N)N
InChI
InChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2
InChIKey
DZIHTWJGPDVSGE-UHFFFAOYSA-N

Physical Properties

Melting Point
140-143.6 °F (cis-cis) 147.2-149 °F (trans-trans) (NTP, 1992)
Boiling Point
626 to 628 °F at 3 mmHg (NTP, 1992)
Density
0.9608 at 77 °F (NTP, 1992) - Less dense than water; will float
Physical Description
Yellowish white liquid or brown solid paste. (NTP, 1992) Liquid; Other Solid Yellowish white liquid or brown paste; [CAMEO]
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly-closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.48
TPSA
52.04

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.29

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)
Corrosive Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (94.1%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (21.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H330 (39.6%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P308+P316, P317, P318, P319, P330, P391, P405, and P501

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