4-Butylbenzamide

HCID 2801458
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
107377-07-1
Standard SMILES
CCCCc1ccc(C(N)=O)cc1
InChIKey
KFINRIKJBULSTD-UHFFFAOYSA-N
Molecular formula
C11H15NO
Average molar mass
177.24 g/mol
Monoisotopic mass
177.1153641

Names & identifiers

Preferred name
4-Butylbenzamide
IUPAC
4-butylbenzamide
English name
4-n-Butylbenzamide
Molecular formula
C11H15NO
Molecular weight
177.24

Names & synonyms

4-butylbenzamide107377-07-1DTXSID00384251RefChem:291206DTXCID703352754-n-butylbenzamideMFCD00221466p-ButylbenzamidSCHEMBL607614SCHEMBL4476375SCHEMBL5330366SCHEMBL5330371
Show more names
RMA-312Benzamide, 4-butyl-4-BUTYLAMINOMETHYL-PHENYLAMINE4-hex-1-ynyl-2-methyl-3-quinolinecarboxylic acid ethyl ester
SCHEMBL28983425KFINRIKJBULSTD-UHFFFAOYSA-NAKOS005377490AS-56808ST50407073

Database identifiers

CAS
107377-07-1
PubChem CID
2801458
DTXSID
DTXSID00384251
Nikkaji
J3.523.991J

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
127 °C · 127 °C
Boiling point
309.9 · 309.9±21.0 °C(Predicted)
Density
1.018 · 1.018±0.06 g/cm3(Predicted)
pka
16.2 · 16.20±0.50(Predicted)
CAS DataBase Reference
107377 · 107377-07-1(CAS DataBase Reference)
Risk Statements
36 · 36/37/38

Safety & regulation

Safety data

risk_code
36/37/38
safety_code
26-37

Chemistry & industry

Suppliers15 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

Loading…