Basic information
- CAS
21889-05-4- Standard SMILES
Nc1ccc(-c2cc3ccccc3[nH]2)cc1- InChIKey
BBYJHUAEFSHMHU-UHFFFAOYSA-N- Molecular formula
- C14H12N2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.10004839
Names & identifiers
- Preferred name
- 2-(4-Aminophenyl)indole
- IUPAC
- 4-(1H-indol-2-yl)aniline
- English name
- 4-(1H-Indol-2-yl)-phenylamine
- Molecular formula
- C14H12N2
- Molecular weight
- 208.26
Names & synonyms
21889-05-42-(4-Aminophenyl)indole2-(p-Aminophenyl)indoleINDOLE, 2-(p-AMINOPHENYL)-Benzenamine, 4-(1H-indol-2-yl)-951PA1NR6ZNSC 119095NSC-119095BRN 0474966UNII-951PA1NR6ZDTXSID601762904-(1H-INDOL-2-YL)BENZENAMINE
Show more names
AKOS BAR-22894-(2-Indolyl)aniline2-(p-aminophenyl)-indol4-(1H-Indol-2-yl)anilin2-(4-Aminophenyl)-1H-indoleBENZAMIDE,4-(1H-INDOL-2-YL)-4-(1H-indole-2-yl)benzeneamine
5-22-11-00067 (Beilstein Handbook Reference)RefChem:84337DTXCID3098781Benzenamine, 4-(1H-indol-2-yl)-(9CI)4-(1H-indol-2-yl)aniline4-(1H-Indol-2-yl)-phenylamineMFCD01719190NSC119095
Database identifiers
- CAS
21889-05-4- PubChem CID
- 30845
- DTXSID
DTXSID60176290- ChEMBL
CHEMBL1897879- UNII
- 951PA1NR6Z
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 201 · 201-202 °C(Solv: ethanol (64-17-5))
- Boiling point
- 441.2 · 441.2±20.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 17.48 · 17.48±0.30(Predicted)
- Sensitive
- Light Sensitive
- FDA UNII
- 951 PA1NR6Z · 951PA1NR6Z
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 29339900 · 29339900
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
- hs_code
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers27 total
韶远科技(上海)有限公司4000665055 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…