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CAS 10029-09-1 cis-1,4-Bis(aminomethyl)cyclohexane molecular structure lightbox
CAS RN: 10029-09-1

cis-1,4-Bis(aminomethyl)cyclohexane

  • Product code: SSC-000745
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10029-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

10029-09-1 / [4-(aminomethyl)cyclohexyl]methanamine

cis-1,4-Bis(aminomethyl)cyclohexane | trans-1,4-Bis(aminomethyl)cyclohexane | 1,4-Bis(aminomethyl)cyclohexane

Standard CAS: 10029-09-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10029-09-1
Multi CAS
No
Molecular Formula
C8H18N2
Molecular Weight
142.240000
Exact Mass
142.146999
SMILES
C1CC(CCC1CN)CN
InChI
InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2
InChIKey
OXIKYYJDTWKERT-UHFFFAOYSA-N
Synonyms
cis-1,4-Bis(aminomethyl)cyclohexane trans-1,4-Bis(aminomethyl)cyclohexane 1,4-Bis(aminomethyl)cyclohexane 1,4-Cyclohexanedimethanamine Bamch

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.56
TPSA
52.04

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H302 (36.9%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (36.9%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (64.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H412 (58.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501

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