1-(Dimethoxymethyl)hexahydro-1H-azepine

HCID 118352

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Basic information

CAS: 32895-16-2
Standard SMILES: COC(OC)N1CCCCCC1
InChIKey: LNCAEXDPLKQRAU-UHFFFAOYSA-N
Molecular formula: C9H19NO2
Average molar mass: 173.25 g/mol
Monoisotopic mass: 173.14157885

Names & identifiers

Preferred name: 1-(Dimethoxymethyl)hexahydro-1H-azepine
IUPAC: 1-(dimethoxymethyl)azepane
English name: N-Formylhexamethyleneimine dimethyl acetal
Molecular formula: C9H19NO2
Molecular weight: 173.25

Names & synonyms

1-(Dimethoxymethyl)hexahydro-1H-azepineEINECS 251-282-9RefChem:427707251-282-91-(dimethoxymethyl)azepane32895-16-2N-FORMYLHEXAMETHYLENEIMINE DIMETHYLACETALSCHEMBL10845879DTXSID609545501-(dimethoxymethyl)hexahydroazepineAKOS006275527dimethoxyhexahydro-1H-azepin-1-ylmethane

Show more names

Pivmecillinam Impurity 6N-(Dimethoxymethyl)azacycloheptane1-(DiMethoxyMethyl)hexahydro-1H-azepinN-FORMYLHEXAMETHYLENIMINE DIMETHYLACETAL1H-Azepine, 1-(dimethoxymethyl)hexahydro-N-Formylhexamethyleneimine dimethyl acetal1-Hexamethyleniminecarbaldehyde dimethyl acetal1-Hexamethyleniminecarboxaldehyde dimethyl acetal

NS00055503

Database identifiers

CAS: 32895-16-2
PubChem CID: 118352
DTXSID: DTXSID60954550
EC Number: 251-282-9
Nikkaji: J319.468J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 107

Physicochemical properties

Boiling point: 85 °C · 85 °C(Press: 10 Torr)
Density: 0.94 · 0.94[at 20℃]
pka: 5.16 · 5.16±0.20(Predicted)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 302 · H302-H226-H332-H312-H319-H335
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 21-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23683

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS02,GHS07
Hazard statements: H302-H226-H332-H312-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501