Basic information
- CAS
16490-80-5- Standard SMILES
NC(=O)CCNCc1ccccc1- InChIKey
GGJZFUWYCGSBCO-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- 3-Benzylaminopropionamide
- IUPAC
- 3-(benzylamino)propanamide
- English name
- 3-(Benzylamino)propanamide
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
16490-80-5Propanamide, 3-[(phenylmethyl)amino]-3-Benzylaminopropionamide3-(Benzylamino)propionamideZT83USX2NBPropanamide, 3-((phenylmethyl)amino)-Propionamide, 3-(benzylamino)-EINECS 240-549-5DTXSID7066065RefChem:498030DTXCID5035296240-549-5
Show more names
CHEMBRDG-BB 5301711N3-benzyl-b-alaninamide3-(benzylamino)-Propionamide3-[(phenylmethyl)amino]-propanamid3-[(phenylmethyl)amino]-PropanamidePropanamide,3-[(phenylmethyl)amino]-
3-(benzylamino)propanamideN~3~-benzyl-beta-alaninamideMFCD007694803-[benzylamino]propanamideN3-Benzyl-beta-alaninamideUNII-ZT83USX2NBChemDiv3_004649SCHEMBL1073365
Database identifiers
- CAS
16490-80-5- PubChem CID
- 85451
- DTXSID
DTXSID7066065- UNII
- ZT83USX2NB
- EC Number
- 240-549-5
- Nikkaji
- J318.213D
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 81 · 81-86 °C
- Boiling point
- 375 · 375.0±25.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 16.3 · 16.30±0.40(Predicted)
- FDA UNII
- 83 USX2NB · ZT83USX2NB
- EPA Substance Registry System
- 3 · Propanamide, 3-[(phenylmethyl)amino]- (16490-80-5)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H318-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanamide, 3-[(phenylmethyl)amino]-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
常州合晶化工有限公司85528066 13775048983 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
9 records
Compound notes
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