(trans-4-Methoxycyclohexyl)amine

HCID 409910

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Basic information

CAS: 121588-79-2
Standard SMILES: COC1CCC(N)CC1
InChIKey: SDMXLAZIFYYECU-UHFFFAOYSA-N
Molecular formula: C7H15NO
Average molar mass: 129.2 g/mol
Monoisotopic mass: 129.1153641

Names & identifiers

Preferred name: (trans-4-Methoxycyclohexyl)amine
IUPAC: 4-methoxycyclohexan-1-amine
English name: trans-4-MethoxycyclohexanaMine
Molecular formula: C7H15NO
Molecular weight: 129.2

Names & synonyms

121588-79-2(trans-4-methoxycyclohexyl)amineRefChem:408548873-412-94-METHOXYCYCLOHEXANAMINE4342-46-5Trans-4-methoxycyclohexanamineCis-4-methoxycyclohexanamine130290-78-74-methoxycyclohexylamine4-methoxycyclohexan-1-aminetrans-4-Methoxy-cyclohexylamine

Show more names

(1r,4r)-4-methoxycyclohexan-1-amineCyclohexanamine,4-methoxy-,trans-(1r,4r)-4-methoxycyclohexan-1-amine hydrochloride(1r,4r)-4-methoxycyclohexan-1-amine hydrogen chloridetrans-4-MethoxycyclohexanaMine,,,(1r,4r)-4-methoxycyclohexan-1-amine

Cis-4-methoxy-cyclohexylamineCyclohexanamine, 4-methoxy-, trans-trans-4-Methoxycyclohexan-1-amineMFCD17011799Cyclohexanamine, 4-methoxy-MFCD20278175MFCD18207818trans-4-methoxycyclohexylamine

Database identifiers

CAS: 121588-79-2、4342-46-5
PubChem CID: 409910
DTXSID: DTXSID401347613
EC Number: 873-412-9

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 77

Physicochemical properties

Boiling point: 174.5 · 174.5±33.0 °C(Predicted)
Density: 0.94 · 0.94±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.38 · 10.38±0.70(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280-P301+P312-P305+P351+P338
HS Code: 2922190090 · 2922190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, 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.