AG00CITA

4249-19-8 | S-b-aminoisobutyric acid

AG00CITA

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CAS Number	4249-19-8
Catalog Number	AG00CITA(AGN-PC-0WAJGU)
Chemical Name	S-b-aminoisobutyric acid
IUPAC Name	(2S)-3-amino-2-methylpropanoic acid
InChI	InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChI Key	QCHPKSFMDHPSNR-VKHMYHEASA-N
MDL Number	MFCD07372875
Molecular Formula	C4H9NO2
Molecular Weight	103.1198
SMILES	O=C(O)[C@@H](C)CN
Synonyms	(S)-3-amino-2-methylpropanoic acid, 4249-19-8, (2S)-3-amino-2-methylpropanoic acid, L-3-Amino-isobutyric acid, (S)-b-aminoisobutyric acid, L-3-Amino-isobutyrate, S-BAIBA, L-3-Amino-isobutanoic acid, (S)-3-aminoisobutyric acid, (S)-b-amino-isobutyric acid, (S)-3-Amino-isobutyric acid, (S)-beta-aminoisobutyric acid, (S)-3-Amino-isobutanoic acid, (S)-3-AMINO-2-METHYL-PROPIONIC ACID, 2S-methyl-3-amino-propanoic acid, (S)-3-Amino-2-methylpropanoicacid, (S)-3-Amino-2-methylpropanoate, L-3-aminoisobutyrate, L-3-Amino-isobutanoate, (S)-3-aminoisobutyrate, (S)-beta-aminoisobutyrate, (S)-3-Amino-isobutyrate, (S)-3-Amino-isobutanoate, L-3-Aminoisobutyric acid, >=97.0% (TLC), L-b-aminoisobutyrate, S-b-aminoisobutyrate, L-3-Aminoisobutanoate, L-beta-aminoisobutyrate, S-beta-aminoisobutyrate, L-2-methyl-b-Alanine, L-a-Methyl-ss-alanine, S-b-aminoisobutyric acid, L-b-Aminoisobutyric acid, BIB, L-3-aminoisobutyric acid, (S)-3-Aminoisobutanoate, L-2-methyl-beta-Alanine, (+)-a-Methyl-b-alanine, L-beta-Aminoisobutyric acid, S-beta-aminoisobutyric acid, AC1L97CB, (+)-b-Aminoisobutyric acid, (+)-ss-Aminoisobutyric acid, SCHEMBL456709, L-3-Amino-2-methylpropanoate, (+)-beta-Aminoisobutyric acid, (+)-alpha-Methyl-beta-alanine, CHEBI:33094, CTK1D3174, L-3-Amino-2-methylpropanoic acid, L-3-Amino-2-methylpropionic acid, ZINC895531, (S)-3-amino-2-methyl-Propanoate, KS-000025LF, 5862AB, LMFA01100050, MFCD07372875, (S)-3-amino-2-methyl-Propanoic acid, AB35706, GS-0807, (2S)-3-amino-2-methyl-propanoic acid, (2S)-3-amino-2-methyl-propionic acid, (2S)-3-azanyl-2-methyl-propanoic acid, AJ-24201, Propanoicacid,3-amino-2-methyl-,(2S)-, SC-69436, HY-113380, ST2414622, (S)-3-AMINO-2-METHYLPROPIONIC ACID, CS-0062338, Propanoic acid, 3-amino-2-methyl-, (2S)-, C03284, UNII-T68ALE2O9F component QCHPKSFMDHPSNR-VKHMYHEASA-N, 3-Aminoisobutyric acid, dl-beta-Aminoisobutyric acid, BETA-AMINO ISOBUTYRATE, C4H9NO2, CID439434, 10569-72-9,

Complexity	72.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	103.063g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	103.121g/mol
Monoisotopic Mass	103.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number