AG003IRL

65564-05-8 | Benzyl 3-oxopropylcarbamate

AG003IRL

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CAS Number	65564-05-8
Catalog Number	AG003IRL(AGN-PC-0N3SKA)
Chemical Name	Benzyl 3-oxopropylcarbamate
IUPAC Name	benzyl N-(3-oxopropyl)carbamate
InChI	InChI=1S/C11H13NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2,(H,12,14)
InChI Key	PQMOZOQTXKMYSK-UHFFFAOYSA-N
MDL Number	MFCD05664298
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	O=CCCNC(OCC1=CC=CC=C1)=O
Synonyms	Benzyl 3-oxopropylcarbamate, 65564-05-8, 3-[(Benzyloxycarbonyl)amino]-1-propanal, 3-[(Benzyloxycarbonyl)amino]propionaldehyde, Benzyl (3-oxopropyl)carbamate, Benzyl N-(3-oxopropyl)carbamate, AK-45796, (3-Oxo-propyl)-carbamic acid benzyl ester, 3-[(Benzyloxycarbonyl)amino]propionaldehyde, 95%, 3-((benzyloxycarbonyl)amino)propionaldehyde, N-Phenylmethoxycarbonyl-3-aminopropanal, n-cbz-3-aminopropanal, PubChem13633, ACMC-1B9J1, N-Cbz-3-Aminopropionaldehyde, 3-(Carbobenzoxyamino)propanal, benzyl-(3-oxopropyl)carbamate, SCHEMBL736590, CTK8B8189, KS-00000GBZ, DTXSID90439249, 3-(benzyloxycarbonylamino)propanal, PQMOZOQTXKMYSK-UHFFFAOYSA-N, 3-Aminopropanal, N-CBZ protected, ZINC2548286, ZX-AT014476, 0054AC, ANW-59603, BBL102843, MFCD05664298, SBB063067, STL556651, AKOS015888131, AC-4333, AT-6948, CS-W008271, FCH1681870, OR13701, 3-(benzyloxycarbonylamino)propionaldehyde, 3-[(Carbobenzyloxy)amino]propionaldehyde, 3-(benzyloxycarbonylamino)propion aldehyde, 3-[(Carbobenzyloxy) amino]propionaldehyde, AJ-39507, AN-12077, BC221913, CC-13796, CJ-09320, DS-13654, N-(3-oxopropyl)(phenylmethoxy)carboxamide, 3-(N-benzyloxycarbonylamino)propionaldehyde, AX8013203, DB-008268, TC-148348, FT-0641024, ST24046105, (phenylmethyl) N-(3-oxidanylidenepropyl)carbamate, 564B058, A835152, C-10439, Carbamic acid, (3-oxopropyl)-, phenylmethyl ester, N-(3-oxopropyl)carbamic acid (phenylmethyl) ester, I01-0265, Carbamic acid, N-(3-oxopropyl)-, phenylmethyl ester, 3-[ amino]propionaldehyde, C11H13NO3, ACN-052137, CID10398106,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number