Basic information
- CAS
30350-48-2- Standard SMILES
Nc1cccc(N)c1N- InChIKey
RUOKPLVTMFHRJE-UHFFFAOYSA-N- Molecular formula
- C6H9N3
- Average molar mass
- 123.16 g/mol
- Monoisotopic mass
- 123.0796473
Overview
Benzene-1,2,3-triamine is a benzenetriamine.
Names & identifiers
- Preferred name
- 1,2,3-Benzenetriamine
- IUPAC
- benzene-1,2,3-triamine
- English name
- 1,2,3-Triaminobenzene
- Molecular formula
- C6H9N3
- Molecular weight
- 123.16
Names & synonyms
Benzene-1,2,3-triamine608-32-21,2,3-Triaminobenzene1,2,3-BenzenetriamineXJS83HZ68DNSC-80475CHEBI:38753DTXSID30870677RefChem:1051962DTXCID3081837730350-48-2Benzenetriamine
Show more names
NSC 80475BRN 1100465TriaminobenzeneNSC804751,3-BenzenetriamineUNII-XJS83HZ68DSCHEMBL946353-13-00-00551 (Beilstein Handbook Reference)
Database identifiers
- CAS
30350-48-2、608-32-2- PubChem CID
- 69099
- DTXSID
DTXSID30870677- ChEBI
CHEBI:38753- UNII
- XJS83HZ68D
- Nikkaji
- J134.564H
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.3
Physicochemical properties
- Melting point
- 103 °C · 103°C
- Boiling point
- 219.27 °C · 219.27°C (rough estimate)
- Density
- 1.1097 · 1.1097 (rough estimate)
- refractive index
- 1.5589 · 1.5589 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.5 · 4.50±0.50(Predicted)
- FDA UNII
- 83 HZ68D · XJS83HZ68D
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers22 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Related reactions
6 records
Compound notes
Loading…