Ethyl N-ethyl-beta-alaninate

HCID 90223
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Basic information

CAS
23651-62-9
Standard SMILES
CCNCCC(=O)OCC
InChIKey
CNRWEHBBGLCEHG-UHFFFAOYSA-N
Molecular formula
C7H15NO2
Average molar mass
145.2 g/mol
Monoisotopic mass
145.11027872

Names & identifiers

Preferred name
Ethyl N-ethyl-beta-alaninate
IUPAC
ethyl 3-(ethylamino)propanoate
English name
ethyl N-ethyl-beta-alaninate
Molecular formula
C7H15NO2
Molecular weight
145.2

Names & synonyms

Ethyl N-ethyl-beta-alaninate23651-62-9Ethyl 3-(ethylamino)propanoateMFCD11652191beta-Alanine, N-ethyl-, ethyl esterEINECS 245-806-53-(Ethylamino)propionic acid, ethyl esterEthyl 3-ethylaminopropionateEthyl3-(ethylamino)propanoateSCHEMBL2969974SCHEMBL2969978SCHEMBL11508859
Show more names
ethyl 3-ethylaminopropanoateN-Ethyl-β-alanine ethyl esterβ-Alanine, N-ethyl-, ethyl esterN-Ethyl-beta-alanine Ethyl Ester3-ethylaminopropanoic acid ethyl ester
DTXSID70946466Ethyl 3-(ethylamino)propanoate #ALBB-016468N-ethyl N-(2-carbethoxy)ethyl AmineAKOS009392532N-ethyl-N-(b-ethoxycarbonylethyl)amine.beta.-Alanine, N-ethyl-, ethyl esterFE125194

Database identifiers

CAS
23651-62-9
PubChem CID
90223
DTXSID
DTXSID70946466
EC Number
245-806-5
Nikkaji
J242.640D

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
10

Physicochemical properties

Boiling point
74 · 74-76 °C(Press: 14 Torr)
Density
0.928 · 0.928±0.06 g/cm3(Predicted)
pka
9.55 · 9.55±0.19(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers3 total

杭州品高化工有限公司0571-87658025 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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