CAS 10029-07-9 1,4-Cyclohexanedimethanamine (HCID 17354)

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Basic information

CAS: 10029-07-9
Standard SMILES: NCC1CCC(CN)CC1
InChIKey: OXIKYYJDTWKERT-UHFFFAOYSA-N
Molecular formula: C8H18N2
Average molar mass: 142.24 g/mol
Monoisotopic mass: 142.14699858

Names & identifiers

Preferred name: 1,4-Cyclohexanedimethanamine
IUPAC: [4-(aminomethyl)cyclohexyl]methanamine
English name: [4-(aminomethyl)cyclohexyl]methanamine
Molecular formula: C8H18N2
Molecular weight: 142.24

Names & synonyms

2549-93-1cis-1,4-Bis(aminomethyl)cyclohexanetrans-1,4-Bis(aminomethyl)cyclohexane1,4-Bis(aminomethyl)cyclohexane1,4-CyclohexanedimethanamineBamchCyclohex-1,4-ylenebis(methylamine)EINECS 219-840-6AI3-26964CYCLOHEXANE, 1,4-BIS(AMINOMETHYL)-DTXSID4062511RefChem:416612

Show more names

trans-Hexahydro-p-xylylenediaminetrans-1,4-Cyclohexanedimethanamine1,4-Cyclohexanedimethanamine, trans-trans-1,4-Di(aminomethyl)cyclohexane[4-(aminomethyl)cyclohexyl]methanaminetrans-cyclohexane-1,4-diyl)dimethanamine((1R,4r)-cyclohexane-1,4-diyl)dimethanamine[(1r,4r)-4-(aminomethyl)cyclohexyl]methanamine

DTXCID5037311219-840-6805-776-1805-777-710029-07-910029-09-1Cyclohexane-1,4-diyldimethanamine1,4-Cyclohexanebis(methylamine)

Database identifiers

CAS: 10029-07-9、10029-09-1、2549-93-1
PubChem CID: 17354
DTXSID: DTXSID4062511
EC Number: 219-840-6、805-776-1、805-777-7
Nikkaji: J48.535G、J543.232D、J543.233B

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 73.3

Physicochemical properties

Boiling point: 118 °C/10mmHg · 118°C/10mmHg(lit.)
Density: 0.912 · 0.912±0.06 g/cm3(Predicted)
refractive index: 1.487 · 1.4870-1.4910
form: clear liquid
pka: 10.57 · 10.57±0.29(Predicted)
color: Colorless to Almost colorless
InChI: InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2/t7-,8-
InChIKey: OXIKYYJDTWKERT-ZKCHVHJHSA-N
SMILES: [C@@H]1(CN)CC[C@@H](CN)CC1
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 302 · H302-H311-H314
Precautionary statements: 260 · P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
RIDADR: 2922 · 2922
HS Code: 2921.3 · 2921.30.3000

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302 (36.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 179 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Hazard Classes and Categories · 3 items

Acute Tox. 4 (36.9%)

Acute Tox. 4 (100%)

Safety data

ridadr: 2922
hs_code: 2921.30.3000
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_class: 8/6.1
packing_group: II
Hazard statements: H302-H311-H314
Precautionary statements: P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501