N, N-Diethyl-beta-alanine

CAT: 0926-FD134652Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FD134652Size:50 g

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CAS Number

15674-67-6

Synonyms

Beta-alanine, N, N-diethyl-

MDL Number

MFCD00012611

Smiles

CCN (CC) CCC (=O) O.Cl

Molecular Formula

C7H15NO2

Molecular Weight

145.2 g/mol

Controlled

Chemical Information

N,N-diethyl-beta-alanine hydrochloride

CAS Number	15674-67-6
PubChem CID	3084241
IUPAC Name	3-(diethylamino)propanoic acid;hydrochloride
Molecular Formula	C7H16ClNO2
Molecular Weight	181.66
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	99

SMILES

CCN(CC)CCC(=O)O.Cl

InChI

InChI=1S/C7H15NO2.ClH/c1-3-8(4-2)6-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H

InChIKey

QQVHFNAGPZTCBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15674-67-6

CID: 3084241

Formula: C7H16ClNO2

MW: 181.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.66
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	181.0869564
Monoisotopic Mass	181.0869564
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	99.8
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
YLB24933-01	N- (Ethylsulfonyl) -beta-alanine
JCA64221	N- (4-Nitrobenzoyl) -beta-alanine
LDA26664	N-Benzyl-beta-alanine hydrochloride
IWB75751	N-Ethyl-N-methyl-beta-alanine hydrochloride
IBA20570	N-[ (1-Adamantylamino) carbonyl]-beta-alanine
REA03558-01	N-[ (4-Bromophenyl) sulfonyl]-beta-alanine
FD21799-01	Diethyl N, N-diisopropylphosphoramidite
CAA91791-01	Oxiranemethanamine, N, N-diethyl-
FD177404-01	N, N-Diethyl-2-phenylbutanamide
AAA99686-01	N, N-Diethyl-2-sulfanylacetamide

Catalog	Name
TRC-E917670-1G	N,N'-1,2-Ethanediylbis[N-methy-Beta-alanine Diethyl Ester]
TRC-D493820-1G	N,N'-Dithiobis[N-(phenylmethyl)-beta-alanine 1,1'-Diethyl Ester
MBS5769615	N-Bromoacetyl-beta-alanine
OR350305-01	N-Cbz-beta-alanine
sc-344957	N-Stearoyl-beta-alanine
TRC-P279720-250MG	N-Pentyl-beta-alanine
TRC-B125155-50MG	N-Benzyl-Beta-alanine
TRC-C176180-1G	N-Carbobenzoxy-Beta-alanine
TRC-M276575-100MG	N-Methyl-beta-alanine
sc-338324	N-Tetracosanoyl-beta-alanine