AG0072S2

463-00-3 | Butanoic acid,4-[(aminoiminomethyl)amino]-

AG0072S2

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CAS Number	463-00-3
Catalog Number	AG0072S2(AGN-PC-0OAJEU)
Chemical Name	Butanoic acid,4-[(aminoiminomethyl)amino]-
EC Number	207-331-1
IUPAC Name	4-(diaminomethylideneamino)butanoic acid
InChI	InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
InChI Key	TUHVEAJXIMEOSA-UHFFFAOYSA-N
MDL Number	MFCD00037314
Molecular Formula	C5H11N3O2
Molecular Weight	145.1597
NSC Number	521717
SMILES	NC(=N)NCCCC(=O)O
UNII	15ADP48O8Q
Synonyms	4-guanidinobutyric acid, gamma-guanidinobutyrate, gamma-guanidinobutyrate, monosodium salt, gamma-guanidinobutyric acid, 4-Guanidinobutyric acid, 4-guanidinobutanoic acid, 463-00-3, gamma-Guanidinobutyric acid, gamma-guanidinobutyrate, 4-carbamimidamidobutanoic acid, 4-guanidinobutanoate, UNII-15ADP48O8Q, 4-(carbamimidamido)butanoic acid, NSC521717, 4-(diaminomethylideneamino)butanoic acid, .gamma.-Guanidinobutyric acid, 15ADP48O8Q, Butanoic acid,4-[(aminoiminomethyl)amino]-, CHEBI:15728, TUHVEAJXIMEOSA-UHFFFAOYSA-N, NSC-521717, 4-[(diaminomethylidene)amino]butanoic acid, 4-guanidinobutyrate, 4-((amino(imino)methyl)amino)butanoic acid, Butanoic acid, 4-[(aminoiminomethyl)amino]-, Butanoic acid, 4-((aminoiminomethyl)amino)-, C5H11N3O2, g-Guanidinobutyrate, EINECS 207-331-1, NSC 521717, 4-guanidino butyric acid, AC1Q5VUQ, 4-Guanidino-Butyric Acid, bmse000344, AC1L19DJ, NCIStruc1_001740, NCIStruc2_000146, 4-(carbamimidamido)butanoate, SCHEMBL33717, 4-(amidinoamino)butanoic acid, CHEMBL21157, CHEBI:86564, CTK4I9302, DTXSID50196785, 4-Guanidinobutyric acid, >=98%, KS-000018ZV, ZINC1532820, 7329AF, ACM463003, CCG-36583, FCH931750, NCGC00014910, NCI521717, AKOS006222287, MCULE-6633038701, NCGC00014910-02, NCGC00098011-01, NCI60_004267, HY-113286, CS-0059514, FT-0694704, ST51015011, 4-([Amino(imino)methyl]amino)butanoic acid #, C01035, C-46729, |A-Guanidinobutyric acid, 4-GUANIDINOBUTYRICACID, CID500, AR-1G1412, C5-H11-N3-O2, Butyric acid, 4-guanidino-, monohydrochloride, Butanoic acid, 4-[(aminoiminomethyl)amino]-, monohydrochloride, 495-61-4, ALG,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.085g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	145.162g/mol
Monoisotopic Mass	145.085g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number