((1s,4s)-4-Aminocyclohexyl)methanol

HCID 424390

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Basic information

CAS: 1467-84-1
Standard SMILES: NC1CCC(CO)CC1
InChIKey: GHUJZOFJZVGTSN-LJGSYFOKSA-N
Molecular formula: C7H15NO
Average molar mass: 129.2 g/mol

Names & identifiers

Preferred name: ((1s,4s)-4-Aminocyclohexyl)methanol
IUPAC: (4-aminocyclohexyl)methanol
English name: trans-4-Aminocyclohexanemethanol
Molecular formula: C7H15NO
Molecular weight: 129.2

Names & synonyms

30134-98-689854-94-4(4-Aminocyclohex-1-yl)methanol[(1s,4s)-4-aminocyclohexyl]methanol((1s,4s)-4-aminocyclohexyl)methanolRefChem:389595807-291-0861-359-4(4-aminocyclohexyl)methanol1467-84-1(trans-4-Aminocyclohexyl)methanoltrans 4-Aminocyclohexanemethanol

Show more names

((1R,4r)-4-aMinocyclohexyl)MethanolAminocyclohexanemethanol24((1R,4R)-4-aminocyclohexyl)methanolRel-((1r,4r)-4-aminocyclohexyl)methanoltrans-1-Amino-4-(hydroxymethyl)cyclohexane

(cis-4-Aminocyclohexyl)methanolCyclohexanemethanol, 4-amino-, cis-Cyclohexanemethanol, 4-amino-, trans-TRANS-4-AMINOCYCLOHEXANEMETHANOL(4-amino-cyclohexyl)-methanolcis-(4-Aminocyclohexyl)methanol[trans-4-aminocyclohexyl]methanolcis-(4-Amino-cyclohexyl)-methanol

Database identifiers

CAS: 1467-84-1、30134-98-6、89854-94-4
PubChem CID: 424390
DTXSID: DTXSID701347686
EC Number: 807-291-0、836-585-1、861-359-4
Nikkaji: J1.090.910D、J3.207.336K

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 77

Physicochemical properties

Melting point: 146 · 146-148C
Boiling point: 218.8 · 218.8±13.0 °C(Predicted)
Density: 0.974 · 0.974±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Chloroform, Dichloromethane, Methanol
form: Solid
pka: 15.05 · 15.05±0.10(Predicted)
color: White to Off-White
InChI: InChI=1S/C7H15NO/c8-7-3-1-6(5-9)2-4-7/h6-7,9H,1-5,8H2/t6-,7-
InChIKey: GHUJZOFJZVGTSN-LJGSYFOKSA-N
SMILES: [C@@H]1(CO)CC[C@@H](N)CC1
CAS DataBase Reference: 1467 · 1467-84-1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2922190090 · 2922190090

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Hazard information

Hazard Classes and Categories · 3 items

Skin Irrit. 2 (100%)

Skin Irrit. 2 (50%)

Skin Irrit. 2 (100%)

Safety data

hs_code: 2922190090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313