Basic information
- CAS
166947-11-1- Standard SMILES
CN(CC=O)Cc1ccccc1- InChIKey
IODYXSKLZFZLSS-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 2-[Methyl(phenylmethyl)amino]acetaldehyde
- IUPAC
- 2-[benzyl(methyl)amino]acetaldehyde
- English name
- 2-[benzyl(methyl)amino]acetaldehyde
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
166947-11-12-[Methyl(phenylmethyl)amino]acetaldehyde2-(Methyl(phenylmethyl)amino)acetaldehydeRefChem:2542812-[Benzyl(methyl)amino]acetaldehyde2-(benzyl(methyl)amino)acetaldehydeAcetaldehyde, 2-[methyl(phenylmethyl)amino]-starbld0004538SCHEMBL265489SCHEMBL2584302SCHEMBL27329687[Benzyl(methyl)amino]acetaldehyde
Show more names
DTXSID20609231IODYXSKLZFZLSS-UHFFFAOYSA-NN-Benzyl-N-methylaminoacetaldehydeAKOS011327846DB-149302
Database identifiers
- CAS
166947-11-1- PubChem CID
- 20644698
- DTXSID
DTXSID20609231- Nikkaji
- J828.206D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 221.8 · 221.8±23.0 °C(Predicted)
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- pka
- 6.66 · 6.66±0.50(Predicted)
Chemistry & industry
Suppliers13 total
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海赢瑞生物医药科技有限公司21-33585366 13311639313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Cck Pharmchem Co.,ltd0512-68131995 13862051930
湖北扬信医药科技有限公司15374522761 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
45 records
Compound notes
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