AG00C9LJ

3518-88-5 | Diethyl 3,3'-Iminodipropionate

AG00C9LJ

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CAS Number	3518-88-5
Catalog Number	AG00C9LJ(AGN-PC-0RAKBL)
Chemical Name	Diethyl 3,3'-Iminodipropionate
IUPAC Name	ethyl 3-[(3-ethoxy-3-oxopropyl)amino]propanoate
InChI	InChI=1S/C10H19NO4/c1-3-14-9(12)5-7-11-8-6-10(13)15-4-2/h11H,3-8H2,1-2H3
InChI Key	ONEIYJQBXMVMKU-UHFFFAOYSA-N
MDL Number	MFCD14705114
Molecular Formula	C10H19NO4
Molecular Weight	217.2622
NSC Number	525738
SMILES	O=C(OCC)CCNCCC(OCC)=O
Synonyms	Diethyl 3,3'-Iminodipropionate, 3518-88-5, ethyl 3-[(3-ethoxy-3-oxopropyl)amino]propanoate, Diethyl 3,3'-azanediyldipropanoate, NSC525738, ACMC-209idy, diethyl iminodipropionate, Diethyl3,3'-Iminodipropionate, AC1L705H, SCHEMBL4464939, CTK8B1516, DTXSID20326239, ONEIYJQBXMVMKU-UHFFFAOYSA-N, KS-000014UP, ZINC1606461, ANW-28100, MFCD14705114, AKOS011231505, NSC-525738, 3,3'-Iminodipropionic Acid Diethyl Ester, 3,3'-Iminobis(propionic acid ethyl) ester, TC-116845, D4111, W-4664, CID352310,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.265g/mol
Monoisotopic Mass	217.131g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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