Basic information
- CAS
100-62-9- Standard SMILES
C=Nc1ccccc1- InChIKey
VULHYRAYXYTONQ-UHFFFAOYSA-N- Molecular formula
- C7H7N
- Average molar mass
- 105.14 g/mol
- Monoisotopic mass
- 105.05784923
Names & identifiers
- Preferred name
- N-Methylenebenzenamine
- IUPAC
- N-phenylmethanimine
- English name
- N-methyleneaniline
- Molecular formula
- C7H7N
- Molecular weight
- 105.14
Names & synonyms
N-Methyleneaniline100-62-9N-methylenebenzenamineDTXSID90142847RefChem:1091949DTXCID7065338202-871-4N-phenylmethanimineBenzenamine, N-methylene-NCIOpen2_002162MethylenanilinN-methylene aniline
Show more names
methylene(phenyl)amine
EINECS 202-871-4Methanimine, N-phenyl-Anhydroformaldehydeaniline273933-66-76Z8EZ88JWLMETHYLENEANILINE,TRIMERSCHEMBL490279SCHEMBL490280
Database identifiers
- CAS
100-62-9、25656-96-6- PubChem CID
- 66014
- DTXSID
DTXSID90142847- UNII
- 6Z8EZ88JWL
- EC Number
- 202-871-4
- Nikkaji
- J182.137G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.5
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- Boiling point
- 146 · 146-148 °C(Press: 12 Torr)
- Density
- 0.87 · 0.87±0.1 g/cm3(Predicted)
- pka
- 4.8 · 4.80±0.50(Predicted)
Chemistry & industry
Suppliers5 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
扬州千行化学科技有限公司18051976595 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
2 records
Compound notes
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