Basic information
- CAS
78168-74-8- Standard SMILES
NCC#Cc1ccccc1- InChIKey
DEHHYUARFKIUDI-UHFFFAOYSA-N- Molecular formula
- C9H9N
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.07349929
Names & identifiers
- Preferred name
- 3-Phenylpropargylamine
- IUPAC
- 3-phenylprop-2-yn-1-amine
- English name
- 3-PHENYL-2-PROPYN-1-AMINE
- Molecular formula
- C9H9N
- Molecular weight
- 131.17
Names & synonyms
78168-74-83-Phenyl-2-propyn-1-amine3-Phenylpropargylamine3-Phenyl-propargylamineRefChem:95341636-068-93-phenylprop-2-yn-1-amineMFCD066545533-Phenyl-prop-2-ynylamineCHEMBL110611Lopac-P-1063-phenylprop-2-ynylamine
Show more names
2-Propyn-1-amine, 3-phenyl- (9CI)3-(PYRIDIN-3-YL)PROP-2-YN-1-AMINE
SCHEMBL2385SCHEMBL23863-phenyl-prop-2-ynyl-amineLopac0_0010162-Propyn-1-amine, 3-phenyl-SCHEMBL28424954DTXSID70999412DEHHYUARFKIUDI-UHFFFAOYSA-N
Database identifiers
- CAS
78168-74-8- PubChem CID
- 1681
- DTXSID
DTXSID70999412- ChEMBL
CHEMBL110611- EC Number
- 636-068-9
- Nikkaji
- J760.828D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers10 total
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
北京红惠新医药科技有限公司0101-80456172 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
佛山铪尔生物科技公司13646018803 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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