AG003SMQ

258332-57-9 | N-[3-(Boc-amino)propyl]glycine ethyl ester

AG003SMQ

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CAS Number	258332-57-9
Catalog Number	AG003SMQ(AGN-PC-0782AY)
Chemical Name	N-[3-(Boc-amino)propyl]glycine ethyl ester
IUPAC Name	ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetate
InChI	InChI=1S/C12H24N2O4/c1-5-17-10(15)9-13-7-6-8-14-11(16)18-12(2,3)4/h13H,5-9H2,1-4H3,(H,14,16)
InChI Key	IUZPINCLTDROJL-UHFFFAOYSA-N
MDL Number	MFCD06797071
Molecular Formula	C12H24N2O4
Molecular Weight	260.3300
SMILES	O=C(OCC)CNCCCNC(OC(C)(C)C)=O
Synonyms	258332-57-9, N-[3-(tert-Butoxycarbonylamino)propyl]glycine Ethyl Ester, N-[3-(Boc-amino)propyl]glycine Ethyl Ester, Ethyl 2-((3-((tert-butoxycarbonyl)amino)propyl)amino)acetate, ACMC-1CJ3T, SCHEMBL2459761, CTK4F6534, DTXSID00659870, ANW-25824, MFCD06797071, ZINC44075826, AKOS017560790, KS-000011S3, ACM258332579, BBV-44250727, TC-114569, B2384, I14-61966, Ethyl N-{3-[(tert-butoxycarbonyl)amino]propyl}glycinate, N-[3-(tert-Butoxycarbonylamino)propyl]glycineEthylEster, N-[3-[(tert-Butyloxycarbonyl)amino]propyl]glycine ethyl ester,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.174g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	260.334g/mol
Monoisotopic Mass	260.174g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	76.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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