AG001ECS

1468-42-4 | 6-Ureidohexanoic acid

AG001ECS

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CAS Number	1468-42-4
Catalog Number	AG001ECS(AGN-PC-0JRHVD)
Chemical Name	6-Ureidohexanoic acid
IUPAC Name	6-(carbamoylamino)hexanoic acid
InChI	InChI=1S/C7H14N2O3/c8-7(12)9-5-3-1-2-4-6(10)11/h1-5H2,(H,10,11)(H3,8,9,12)
InChI Key	BQNWWHFSEXYHKU-UHFFFAOYSA-N
MDL Number	MFCD06655749
Molecular Formula	C7H14N2O3
Molecular Weight	174.1977
SMILES	N(C(=O)N)CCCCCC(=O)O
Synonyms	6-ureidohexanoic acid, 1468-42-4, Hexanoic acid, 6-[(aminocarbonyl)amino]-, 6-[(aminocarbonyl)amino]hexanoic acid, N-carbamoyl-6-aminohexanoic acid, 6-(carbamoylamino)hexanoic acid, epsilon-Ureidocaproic acid, AC1LA2KH, AC1Q4ZXD, UPCMLD00WMAL381, SCHEMBL2028710, CTK4C5142, DTXSID10332723, BQNWWHFSEXYHKU-UHFFFAOYSA-N, ZINC4206348, MFCD06655749, AKOS000264577, MCULE-5723327422, 6-[(Aminocarbonyl)amino]-hexanoic acid, Hexanoic acid,6-[(aminocarbonyl)amino]-, AS-48025, EN300-13252, CID460506, L-1834,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.1g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	174.2g/mol
Monoisotopic Mass	174.1g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number