1-Methyl-1,4-diazepan-2-one

HCID 18985347

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Basic information

CAS: 60565-89-1
Standard SMILES: CN1CCCNCC1=O
InChIKey: UCVJSGPCVKPWLY-UHFFFAOYSA-N
Molecular formula: C6H12N2O
Average molar mass: 128.17 g/mol

Names & identifiers

Preferred name: 1-Methyl-1,4-diazepan-2-one
IUPAC: 1-methyl-1,4-diazepan-2-one
English name: N-Methyl-5-homopiperazinone
Molecular formula: C6H12N2O
Molecular weight: 128.17

Names & synonyms

1-methyl-1,4-diazepan-2-one60565-89-1RefChem:433682860-097-8MFCD08460178SCHEMBL84671SCHEMBL5960121-Methyl-14-diazepan-2-oneSCHEMBL9020675AKOS005146181DS-16211SY032795

Show more names

N-METHYL-5-HOMOPIPERAZINONE1-METHYL-1,4-DIAZEPAN-5-ONEHexahydro-1-methyl-2H-1,4-diazepin-2-one1-methyl-1,4-diazepan-2-one hydrochloride2H-1,4-DIAZEPIN-2-ONE, HEXAHYDRO-1-METHYL-1-methyl-1,4-diazepan-2-one 4-methylbenzenesulfonate

DB-072813EN300-160063Y10016F208752Z1198179782

Database identifiers

CAS: 60565-89-1
PubChem CID: 18985347
EC Number: 860-097-8

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 114

Physicochemical properties

Boiling point: 257.9 · 257.9±33.0 °C(Predicted)
Density: 1.003 · 1.003±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.94 · 8.94±0.20(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H302-H318-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H302-H318-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310