Basic information
- CAS
363-36-0- Standard SMILES
NCCC(=O)c1ccccc1N- InChIKey
QLPVTIQQFGWSQQ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Overview
Kynuramine is a member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group. It has a role as a metabolite. It is a member of kynurenamines and a primary amino compound. It is a conjugate base of a kynuramine(1+).
Names & identifiers
- Preferred name
- Kynuramine
- IUPAC
- 3-amino-1-(2-aminophenyl)propan-1-one
- English name
- Kynuramine
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
KYNURAMINE3-amino-1-(2-aminophenyl)propan-1-one363-36-0Diaminopropiophenone1-Propanone, 3-amino-1-(2-aminophenyl)-2WR44BV65EDTXSID70189836CHEBI:734722,3 Diaminopropiophenone2,3-DiaminopropiophenoneRefChem:151607DTXCID30112327
Show more names
Kynurenamine3-AMINO-1-(2-AMINOPHENYL)-PROPAN-1-ONE
QLPVTIQQFGWSQQ-UHFFFAOYSA-N3-amino-1-(2-aminophenyl)-1-PropanoneUNII-2WR44BV65ECHEMBL23319orb1696737SCHEMBL2801613SCHEMBL30555814BDBM10990
Database identifiers
- CAS
363-36-0- PubChem CID
- 9692
- DTXSID
DTXSID70189836- ChEMBL
CHEMBL23319- ChEBI
CHEBI:73472- UNII
- 2WR44BV65E
- Nikkaji
- J11.531B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 175 · 175-177 °C
- Boiling point
- 336.3 · 336.3±22.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- solubility
- Water (soluble)
- pka
- 8.4 · 8.40±0.10(Predicted)
- FDA UNII
- 2 WR44BV65E · 2WR44BV65E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
西安强化生物科技有限公司15339237155 15339237155 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: An aromatic ketone that is aniline substituted at position 2 by a 3-aminopropanoyl group.
Related reactions
4 records
Compound notes
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