Basic information
- CAS
187668-94-6- Standard SMILES
Nc1ccc2ccn(Cc3ccccc3)c2c1- InChIKey
UOQORHZEJBHZAP-UHFFFAOYSA-N- Molecular formula
- C15H14N2
- Average molar mass
- 222.28 g/mol
Names & identifiers
- Preferred name
- 1-benzyl-1H-indol-6-amine
- IUPAC
- 1-benzylindol-6-amine
- English name
- 1-benzyl-1H-indol-6-amine
- Molecular formula
- C15H14N2
- Molecular weight
- 222.29
Names & synonyms
1-benzyl-1H-indol-6-amine187668-94-6RefChem:429748847-863-71-benzylindol-6-amine1-Benzyl-1H-indol-6-ylamineSCHEMBL396279UOQORHZEJBHZAP-UHFFFAOYSA-NMHA66894MFCD11638172DB-311801CS-0225038
Show more names
1H-Indol-6-amine, 1-(phenylmethyl)-
EN300-122338G54279A1-17350
Database identifiers
- CAS
187668-94-6- PubChem CID
- 22019562
- EC Number
- 847-863-7
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 447 · 447.0±28.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 5.23 · 5.23±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
宁波振岳医药科技有限公司19817745290 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Related reactions
10 records
Compound notes
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