AG003IXE

541-48-0 | 3-Aminobutanoic acid

AG003IXE

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CAS Number	541-48-0
Catalog Number	AG003IXE(AGN-PC-0JK9RZ)
Chemical Name	3-Aminobutanoic acid
IUPAC Name	3-aminobutanoic acid
InChI	InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChI Key	OQEBBZSWEGYTPG-UHFFFAOYSA-N
MDL Number	MFCD00008087
Molecular Formula	C4H9NO2
Molecular Weight	103.1198
NSC Number	77380
SMILES	CC(N)CC(O)=O
Synonyms	3-aminobutyric acid, 3-aminobutyric acid, (+-)-isomer, 3-aminobutyric acid, (R)-isomer, 3-aminobutyric acid, (S)-isomer, BABA cpd, beta-aminobutyric acid, DL-3-aminobutyric acid, 3-Aminobutanoic acid, 541-48-0, DL-3-Aminobutyric acid, 3-Aminobutyric acid, beta-Aminobutyric acid, 2835-82-7, Butanoic acid, 3-amino-, DL-3-AMINO-N-BUTYRIC ACID, BABA, 3-amino-butyric acid, 3-methyl-beta-alanine, Butyric acid, 3-amino-, EINECS 208-783-2, EINECS 220-617-0, DL-beta-Aminobutyric acid, DL-.beta.-Aminobutyric acid, dl-beta-Amino-n-butyric acid, AI3-26821, CHEBI:37081, OQEBBZSWEGYTPG-UHFFFAOYSA-N, 3-aminobutyrate, UNII-4282SA5CTS, DL-beta-homo-alanine, DL-3-aminobutanoic acid, DL-3-Abu-OH, Carbocreatine, b-Homoalanine, Butyric acid, 3-amino-, DL-, 4282SA5CTS, dl-3-Aminobutyric, AK-34921, 3-AminobutanoicAcid, 3-azanylbutanoic acid, 3-Amino-Butanoic acid, DL-.beta.-Aminobutyrate, .beta.-Aminobutyric acid, .beta.-Aminobutanoic acid, 3-Amino-DL-Butyric acid, AC1L1W9B, DL-HOMO-BETA-ALANINE, SCHEMBL44574, .beta.-Amino-n-butyric acid, 3-Aminobutanoic acid, 97%, Butyric acid, (.+-.)-, KSC270O8D, MLS000069399, (+/-)-3-Aminobutyric acid, (+/-)-3-aminobutanoic acid, .beta.-Methyl-.beta.-alanine, CHEMBL1995111, dl-.beta.-Amino-n-butyric acid, DTXSID4040975, CTK1H0781, KS-00000APB, 3-Amino-(.+-.)-Butyric acid, 3-Amino-(.+-.)-Butanoic acid, (.+-.)-.beta.-Aminobutyric acid, ALBB-014344, NSC77380, ANW-41611, MFCD00008087, NSC 77380, NSC-77380, SBB065941, AKOS005174346, Butyric acid, 3-amino-, (.+-.)-, MCULE-7818257350, RP18804, RTR-019148, TRA0100480, VC30336, VZ26337, TRA-0206667, AK-44656, AK-48097, AS-11703, AT-26501, BC675902, NCI60_041705, SC-10058, SC-16442, SMR000058404, SY019803, SY022577, (+)-DimEt 2,3-O-isopropylideneD-tartrate, AB1006789, AB1009595, LS-182543, ST2404905, TR-019148, 4CH-000642, 4CH-014284, A0281, A5389, AM20100428, FT-0625401, FT-0689095, MFCD00008087 (97%), K-7068, MFCD00211284 (95+%), A829994, DL-Beta-Aminobutyric Acid DL-3-Aminobutyric Acid, I04-0896, I04-1651, J-502211, J-640366, J-800369, 3-Aminobutanoic acid, Vetec(TM) reagent grade, 97%, Z271099482, 0B9FE31A-1286-4B2B-B64E-4A3871898B12, ( inverted exclamation markA)-3-Aminobutyric acid; DL-3-Aminobutyric acid, null, (R)-3-Aminobutanoic Acid, (S)-3-Aminobutanoic acid, Butyric acid, DL-, DL-3-Aminobutyricacid, beta-amino-n-butyric acid, (R)-3-AMINOBUTYRIC ACID, C4H9NO2, Butanoic acid, (.+-.)-, (S)-3-AMINOBUTYRIC ACID, C4-H9-N-O2, CID10932, RW1747, Butanoic acid, 3-amino-, (.+.)-, 3775-73-3, A-5230, 3775-72-2, 58610-42-7,

Complexity	72.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0
XLogP3	-3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number