Acetamide, N-(4-butylphenyl)-

HCID 77227
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Basic information

CAS
3663-20-5
Standard SMILES
CCCCc1ccc(NC(C)=O)cc1
InChIKey
GDQKURDANTWHBA-UHFFFAOYSA-N
Molecular formula
C12H17NO
Average molar mass
191.27 g/mol
Monoisotopic mass
191.13101417

Names & identifiers

Preferred name
Acetamide, N-(4-butylphenyl)-
IUPAC
N-(4-butylphenyl)acetamide
English name
N1-(4-BUTYLPHENYL)ACETAMIDE
Molecular formula
C12H17NO
Molecular weight
191.27

Names & synonyms

N-(4-Butylphenyl)acetamide3663-20-5Acetamide, N-(4-butylphenyl)-DTXSID20190098RefChem:315366DTXCID30112589N1-(4-butylphenyl)acetamideMFCD00277211p-n-Butylacetanilidp-normalbutylacetanilideMaybridge1_000046N-acetyl-4-n-butylaniline
Show more names
4-BUTYLACETANILIDE4-N-BUTYLACETANILIDE4-Butylphenylacetamide
MixCom1_000090GNF-Pf-1449CHEMBL601763SCHEMBL2748237SCHEMBL5539011SCHEMBL5541692n-(4-butylphenyl)acetamide (en)GDQKURDANTWHBA-UHFFFAOYSA-N

Database identifiers

CAS
3663-20-5
PubChem CID
77227
DTXSID
DTXSID20190098
ChEMBL
CHEMBL601763
EC Number
119-320-8
Nikkaji
J1.582.499I

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
107 °C · 107 °C
Boiling point
349.591 · 349.591±21.00 °C(Press: 760.00 Torr)(predicted)
Density
1.016 · 1.016±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
15.13 · 15.130±0.70(predicted)
CAS DataBase Reference
3663 · 3663-20-5
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 3 items

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, 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 CategoriesAquatic Chronic 3 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers19 total

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安徽合诺生物科技有限公司0555-2761852
T&W GROUP021-61551611 13296011611 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438

Related reactions

6 records
New reaction record

Compound notes

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