AG006XVJ

505-47-5 | 3,3'-Azanediyldipropanoic acid

AG006XVJ

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CAS Number	505-47-5
Catalog Number	AG006XVJ(AGN-PC-0S8L3J)
Chemical Name	3,3'-Azanediyldipropanoic acid
EC Number	208-009-3
IUPAC Name	3-(2-carboxyethylamino)propanoic acid
InChI	InChI=1S/C6H11NO4/c8-5(9)1-3-7-4-2-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)
InChI Key	TXPKUUXHNFRBPS-UHFFFAOYSA-N
MDL Number	MFCD01311684
Molecular Formula	C6H11NO4
Molecular Weight	161.1558
NSC Number	41820
SMILES	O=C(O)CCNCCC(O)=O
Synonyms	505-47-5, 3,3'-Iminodipropionic acid, 3,3'-Azanediyldipropanoic acid, 3,3-Bis(N,N-dipropanoic acid), N-(2-Carboxyethyl)-beta-alanine, 3-(2-carboxyethylamino)propanoic acid, IMINODIPROPIONIC ACID, EINECS 208-009-3, zlchem 613, 3-(2-Carboxy-ethylamino)-propionic acid, ACMC-209knq, 3,3'-IminodipropionicAcid, AC1L1V8K, SCHEMBL109879, CTK8B1780, DTXSID60198518, ZLD0062, b-Alanine, N-(2-carboxyethyl)-, ACT06015, KS-000016XL, NSC41820, ZINC1673591, ACM505475, ANW-31044, MFCD01311684, NSC-41820, AKOS006345949, VZ25379, AJ-29333, SC-52930, AX8081276, DB-071216, TC-119789, FT-0656025, I0823, B20600, 3-[(2-CARBOXYETHYL)AMINO]PROPANOIC ACID, S04-0081, 3,3'-Iminodipropanoic acid, C6H11NO4, C6-H11-N-O4, CID10456,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.069g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	161.157g/mol
Monoisotopic Mass	161.069g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	86.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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