Beta-Alanine Ethyl Ester Hydrochloride

CAT: 0572-TRC-D461083-10GSize: 10 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-D461083-10GSize:10 g

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CAS Number

4244-84-2

Hazard Statement

No Data Available

Smiles

Cl.CCOC(=O)CCN

Molecular Formula

C5H12ClNO2

Molecular Weight

153.61

Shipping Conditions

Room Temperature

Chemical Information

beta-Alanine, ethyl ester, hydrochloride

CAS Number	4244-84-2
PubChem CID	458475
IUPAC Name	ethyl 3-aminopropanoate;hydrochloride
Molecular Formula	C5H12ClNO2
Molecular Weight	153.61
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	72

SMILES

CCOC(=O)CCN.Cl

InChI

InChI=1S/C5H11NO2.ClH/c1-2-8-5(7)3-4-6;/h2-4,6H2,1H3;1H

InChIKey

RJCGNNHKSNIUAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4244-84-2

CID: 458475

Formula: C5H12ClNO2

MW: 153.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.61
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	153.0556563
Monoisotopic Mass	153.0556563
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	72.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
TRC-A510580-100G	L-Alanine Ethyl Ester Hydrochloride
TRC-A510580-10G	L-Alanine Ethyl Ester Hydrochloride
TRC-D461083-50G	b-Alanine Ethyl Ester Hydrochloride
TRC-A510580-25G	L-Alanine Ethyl Ester Hydrochloride
TRC-A510560-25G	Beta-Alanine Methyl Ester Hydrochloride
TRC-A510560-2.5G	Beta-Alanine Methyl Ester Hydrochloride
TRC-A510575-25G	D,L-Alanine Ethyl Ester Hydrochloride
TRC-A510575-5G	D,L-Alanine Ethyl Ester Hydrochloride
TRC-A510575-2.5G	D,L-Alanine Ethyl Ester Hydrochloride
TRC-A510565-1G	Beta-Alanine Tert-butyl Ester Hydrochloride

Catalog	Name
GC3427-25g	Beta-Alanine ethyl ester hydrochloride
259837-01	D-Alanine ethyl ester hydrochloride
260233	B-Alanine ethyl ester hydrochloride
GM3513-5g	DL-Alanine ethyl ester hydrochloride
BIA0106	L-Alanine ethyl ester hydrochloride
A12280-01	L-a-Alanine ethyl ester hydrochloride
A12290-01	DL- Alanine ethyl ester hydrochloride
MBS3611368-01	beta-Alanine methyl ester hydrochloride
A1205-04	D, L-Alanine Ethyl Ester, Hydrochloride
237415-01	DL-Alanine ethyl ester hydrochloride 99+%