3-(Dipropylcarbamoyl)benzoic acid

HCID 182769
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Basic information

CAS
126926-35-0
Standard SMILES
CCCN(CCC)C(=O)c1cccc(C(=O)O)c1
InChIKey
BEOWTCBXKHFAAK-UHFFFAOYSA-N
Molecular formula
C14H19NO3
Average molar mass
249.3 g/mol
Monoisotopic mass
249.13649347

Names & identifiers

Preferred name
3-(Dipropylcarbamoyl)benzoic acid
IUPAC
3-(dipropylcarbamoyl)benzoic acid
English name
3-[(dipropylamino)carbonyl]Benzoic acid
Molecular formula
C14H19NO3
Molecular weight
249.31

Names & synonyms

3-(dipropylcarbamoyl)benzoic acid126926-35-0N,N-dipropyl-isophthalamic acidBenzoic acid, 3-((dipropylamino)carbonyl)-N,N-Dipropylisophthalamic acidBenzoic acid, 3-[(dipropylamino)carbonyl]-3-[(dipropylamino)carbonyl]Benzoic acidBenzoicacid,3-[(dipropylamino)carbonyl]-SCHEMBL2206424DTXSID10155338BEOWTCBXKHFAAK-UHFFFAOYSA-NBFA92635
Show more names
MFCD12070341AKOS009497312DA-13081EN300-68976G32243A1-06213Z425331792

Database identifiers

CAS
126926-35-0
PubChem CID
182769
DTXSID
DTXSID10155338
EC Number
186-765-2
Nikkaji
J2.361.195C

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
18

Physicochemical properties

Boiling point
438.2 · 438.2±28.0 °C(Predicted)
Density
1.116 · 1.116±0.06 g/cm3(Predicted)
pka
4.07 · 4.07±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

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

Chemistry & industry

Suppliers4 total

上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

Related reactions

25 records
New reaction record

Compound notes

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