Basic information
- CAS
57667-50-2- Standard SMILES
CCCn1c(N)nc2ccccc21- InChIKey
MGKUHRRJQCKXOW-UHFFFAOYSA-N- Molecular formula
- C10H13N3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.11094743
Names & identifiers
- Preferred name
- 1-propyl-1H-1,3-benzodiazol-2-amine
- IUPAC
- 1-propylbenzimidazol-2-amine
- English name
- 1-Propyl-1H-benzoimidazol-2-ylamine
- Molecular formula
- C10H13N3
- Molecular weight
- 175.23
Names & synonyms
1-propyl-1H-1,3-benzodiazol-2-amineRefChem:436443673-310-257667-50-21-Propyl-1H-benzoimidazol-2-ylamine1-propyl-1H-benzo[d]imidazol-2-amine1-propyl-1H-benzimidazol-2-amine1-propylbenzimidazol-2-amine1H-Benzimidazol-2-amine, 1-propyl-2-Amino-1-propylbenzimidazoleMFCD009646931-propylbenzimidazole-2-ylamine
Show more names
AKOS B014389AKOS BBS-00006619IFLAB-BB F2124-0423ART-CHEM-BB B014389TIMTEC-BB SBB0093491-propyl-2-benzimidazolamine(1-propylbenzimidazol-2-yl)amine
1-propyl-1H-benzimidazol-2-ylamine1H-Benzimidazol-2-amine,1-propyl-Enamine_004549Oprea1_272516Oprea1_559665MLS0005252981-propyl-2-aminobenzimidazoleCHEMBL438298
Database identifiers
- CAS
57667-50-2- PubChem CID
- 799602
- DTXSID
DTXSID80355409- ChEMBL
CHEMBL438298- EC Number
- 673-310-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 132 · 132-133 °C
- Boiling point
- 349.7 · 349.7±25.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 7.05 · 7.05±0.10(Predicted)
- Appearance
- Yellow to orange Solid
- CAS DataBase Reference
- 57667 · 57667-50-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
金克隆（北京）生物技术有限公司400-910-1997 15330005590 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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