AG00DCDQ

44902-02-5 | S-2-Aminoheptanoic acid

AG00DCDQ

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CAS Number	44902-02-5
Catalog Number	AG00DCDQ(AGN-PC-0OAHL4)
Chemical Name	S-2-Aminoheptanoic acid
IUPAC Name	(2S)-2-aminoheptanoic acid
InChI	InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
InChI Key	RDFMDVXONNIGBC-LURJTMIESA-N
MDL Number	MFCD08275754
Molecular Formula	C7H15NO2
Molecular Weight	145.1995
SMILES	CCCCC[C@H](N)C(O)=O
Synonyms	(S)-2-Aminoheptanoic acid, 44902-02-5, S-2-Aminoheptanoic acid, (2S)-2-aminoheptanoic acid, 2S-aminoheptanoic acid, L-Homonorleucine, Heptanoic acid, 2-amino-, (S)-, L-2-Aminoheptanoic acid, CHEBI:40682, homonorleucine, (+)-Heptyline, AC1NSNYW, Sa2-aminoheptanoic acid, L-2-Amino-heptanoic acid, CHEMBL73530, (2S)-2-Amino-heptanoic acid, SCHEMBL5967305, BDBM18139, CTK8C4795, DTXSID90415624, KS-00000KL0, ZINC1570970, 6196AB, ANW-73150, LMFA01100014, MFCD08275754, AKOS006284516, CS-W018819, DS-3410, AJ-27192, TC-161895, FT-0698423, 902S025, S-2-Aminoheptanoicacid, 2-amino-heptanoic acid, C7H15NO2, Heptanoic acid, 2-amino-, (2S)-, ACN-033796, CID5312965, AHE,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	145.11g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	145.202g/mol
Monoisotopic Mass	145.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-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