Home > Compound List > Compound details
30391-89-0 molecular structure
click picture or here to close

2-amino-N-(propan-2-yl)benzamide

ChemBase ID: 21569
Molecular Formular: C10H14N2O
Molecular Mass: 178.23096
Monoisotopic Mass: 178.11061308
SMILES and InChIs

SMILES:
C(=O)(c1c(N)cccc1)NC(C)C
Canonical SMILES:
CC(NC(=O)c1ccccc1N)C
InChI:
InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3,(H,12,13)
InChIKey:
FWQYJOPJMIEKHZ-UHFFFAOYSA-N

Cite this record

CBID:21569 http://www.chembase.cn/molecule-21569.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(propan-2-yl)benzamide
IUPAC Traditional name
2-amino-N-isopropylbenzamide
Synonyms
2-Amino-N-isopropylbenzamide
N-Isopropylanthranilamide
Anthranilic acid isopropylamide
N-异丙基氨基苯甲酰胺
邻氨基苯甲酸异丙基胺
CAS Number
30391-89-0
EC Number
250-175-4
MDL Number
MFCD00143620
Beilstein Number
2804946
PubChem SID
160984876
24862970
PubChem CID
94411

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.513645  H Acceptors
H Donor LogD (pH = 5.5) 1.6409836 
LogD (pH = 7.4) 1.6420062  Log P 1.6420192 
Molar Refractivity 53.9009 cm3 Polarizability 19.823202 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
148 - 150°C expand Show data source
Hydrophobicity(logP)
1.392 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95% expand Show data source
Grade
analytical standard, for environmental analysis expand Show data source
Empirical Formula (Hill Notation)
C10H14N2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle