Basic information
- CAS
10546-70-0- Standard SMILES
CCCNC(=O)c1ccccc1- InChIKey
DYZWXBMTHNHXML-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Overview
N-propylbenzamide is a member of the class the class of benzamides that is benzamide substituted by a propyl group at the N atom. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is functionally related to a benzamide.
Names & identifiers
- Preferred name
- N-Propylbenzamide
- IUPAC
- N-propylbenzamide
- English name
- N-PROPYL BENZAMIDE
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
N-PropylbenzamideBENZAMIDE, N-PROPYL-benzoic acid N-propylamideAI3-01388NSC 20562BRN 2044387CHEBI:84270DTXSID601471423-09-00-01070 (Beilstein Handbook Reference)RefChem:164164DTXCID9069633622-305-3
Show more names
Nsc20562Wln: 3mvrn-propyl-benzamidBenzamide, N-propyl- (6CI,7CI,8CI,9CI)
DYZWXBMTHNHXML-UHFFFAOYSA-N10546-70-0N-(n-Propyl)benzamideN-PROPYL BENZAMIDET6G3GT6LN5NSC-20562phenyl-N-propylcarboxamideN-propyl-benzamide
Database identifiers
- CAS
10546-70-0- PubChem CID
- 25354
- DTXSID
DTXSID60147142- ChEBI
CHEBI:84270- UNII
- T6G3GT6LN5
- EC Number
- 622-305-3
- Nikkaji
- J54.914B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
LogP1.72
Physicochemical properties
- Melting point
- 84 · 84-85 °C
- Boiling point
- 120 · 120-121 °C(Press: 21 Torr)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- pka
- 15 · 15.00±0.46(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 G3GT6LN5 · T6G3GT6LN5
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
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]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Additional notes
DefinitionChEBI: A member of the class the class of benzamides that is benzamide substituted by a propyl group at the N atom. Metabolite observed in cancer metabolism.
Related reactions
8 records
Compound notes
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