AG00BDGU

2566-29-2 | 3-Aminopentane-3-carboxylic acid

AG00BDGU

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CAS Number	2566-29-2
Catalog Number	AG00BDGU(AGN-PC-0JM15O)
Chemical Name	3-Aminopentane-3-carboxylic acid
IUPAC Name	2-amino-2-ethylbutanoic acid
InChI	InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
InChI Key	KWOMLHIFHFWBSB-UHFFFAOYSA-N
MDL Number	MFCD01737173
Molecular Formula	C6H13NO2
Molecular Weight	131.1729
NSC Number	23275
SMILES	CCC(CC)(N)C(O)=O
Synonyms	14C-AEB, alpha,alpha-diethylglycine, alpha-amino-2-ethylbutanoic acid, Deg amino acid, 2-amino-2-ethylbutanoic acid, 2566-29-2, 3-Aminopentane-3-carboxylic acid, H-Deg-OH, diethylglycine, 2-Amino-2-ethylbutyric acid, 2-amino-2-ethyl-butanoic acid, alpha-Amino-2-ethylbutanoic acid, alpha,alpha-diethylglycine, Butanoic acid, 2-amino-2-ethyl-, 14C-Aeb, NSC23275, ACMC-209gll, AC1L3TSU, SCHEMBL58260, 2-amino-2-ethyl-butyric acid, 2-azanyl-2-ethyl-butanoic acid, NIOSH/ES6646000, Butanoic acid,2-amino-2-ethyl-, CTK8B1320, KS-00000NHB, DTXSID20180358, Butyric acid, 2-amino-2-ethyl-, KWOMLHIFHFWBSB-UHFFFAOYSA-N, EBD99113, ZINC1602523, ANW-25783, MFCD01737173, NSC-23275, AKOS000171401, CB 1686, CD-1040, CS-W005544, MCULE-9609626868, AJ-28027, AK-90432, BS-12315, LS-47813, SC-38464, ST2404098, TC-066265, ES66460000, FT-0657151, V4713, EN300-91958, K-6704, A817958, S04-0156, Z1815149201, C6H13NO2, C6-H13-N-O2, CID95206,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.095g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	131.175g/mol
Monoisotopic Mass	131.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.8

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

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