Basic information
- CAS
1192-95-6- Standard SMILES
CN1CCCCCC1- InChIKey
ZKUKXSWKWGHYKJ-UHFFFAOYSA-N- Molecular formula
- C7H15N
- Average molar mass
- 113.2 g/mol
- Monoisotopic mass
- 113.12044948
Names & identifiers
- Preferred name
- N-Methylazepane
- IUPAC
- 1-methylazepane
- English name
- N-METHYLHEXAMETHYLENEIMINE
- Molecular formula
- C7H15N
- Molecular weight
- 113.2
Names & synonyms
1192-95-6Hexahydro-1-methyl-1H-azepineNSC-1482078VHX6HCK77DTXSID10152342N-MethylazepaneRefChem:1091942DTXCID6074833214-761-31-methylazepanen-methylhexamethyleneimine1H-Azepine, hexahydro-1-methyl-
Show more names
1-Methyl-hexahydroazepineMFCD000461187500-14-3EINECS 214-761-3NSC1482071-MethylhexamethylenimineN-Methyl-hexahydro-azepinSCHEMBL59889
Database identifiers
- CAS
1192-95-6- PubChem CID
- 70940
- DTXSID
DTXSID10152342- ChEMBL
CHEMBL2448852- UNII
- 8VHX6HCK77
- EC Number
- 214-761-3
- Nikkaji
- J203.459J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 53.4
Experimental & physicochemical properties
Dissociation Constants10.3
Physicochemical properties
- Melting point
- 139 °C · 139 °C
- Boiling point
- 137 · 137-139 °C(Press: 740 Torr)
- Density
- 0.836 · 0.836±0.06 g/cm3(Predicted)
- pka
- 9.91 · 9.91±0.20(Predicted)
Chemistry & industry
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
武汉卡米克科技有限公司18162538168 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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