AG0039AW

58885-60-2 | tert-butyl N-(3-oxopropyl)carbamate

AG0039AW

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CAS Number	58885-60-2
Catalog Number	AG0039AW(AGN-PC-0NCNX2)
Chemical Name	tert-butyl N-(3-oxopropyl)carbamate
IUPAC Name	tert-butyl N-(3-oxopropyl)carbamate
InChI	InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h6H,4-5H2,1-3H3,(H,9,11)
InChI Key	MLDSDVASYUUDLT-UHFFFAOYSA-N
MDL Number	MFCD08059952
Molecular Formula	C8H15NO3
Molecular Weight	173.2096
SMILES	C(C)(C)(C)OC(NCCC=O)=O
Synonyms	58885-60-2, (3-Oxo-propyl)-carbamic acid tert-butyl ester, 3-(Boc-amino)propanal, Tert-butyl N-(3-oxopropyl)carbamate, TERT-BUTYL (3-OXOPROPYL)CARBAMATE, (3-OXOPROPYL)CARBAMIC ACID TERT-BUTYL ESTER, Carbamic acid, (3-oxopropyl)-, 1,1-dimethylethyl ester, MFCD08059952, N-Boc-3-aminopropanal, N-Boc-3-amino-propanal, Boc-|A-Ala-PAM resin, SCHEMBL8004, Boc-NH-(CH2)2-CHO, 3-t-butoxycarbonylaminopropanal, tert-Butyl 3-oxopropylcarbamate, t-Butyl (3-oxopropyl)carbamate, MLDSDVASYUUDLT-UHFFFAOYSA-N, Boc-|A-alanine bound to PAM resin, t-butyl-N-(3-oxopropyl)-carbamate, 3-(tert-Butoxycarbonylamino)propanal, tert-butyl-n-(3-oxopropyl)carbamate, MFCD00801166, ZINC11974819, AKOS005215872, AB43166, 3-tert-butoxycarbonylaminopropionaldehyde, AN-39740, CJ-13743, PAM resin esterified with Boc-|A-alanine, SC-26541, 3-(tert-butoxycarbonylamino)propionaldehyde, (3-oxo-propyl)-carbamic acid t-butyl ester, AB0036120, DB-072539, TC-307256, Boc-beta-Ala-PAM resin (100-200 mesh), FT-0700073, J1107, N-t-butyloxycarbonyl-3-amino-propionaldehyde, Y3132, (3-Oxo-propyl)-carbamic acid-tert-butylester, (3-oxopropyl)-carbamic acid tert-butyl ester, Y-3505, N-(TERT-BUTOXYCARBONYL)-3-AMINO-PROPIONALDEHYDE, Carbamic acid, N-(3-oxopropyl)-, 1,1-dimethylethyl ester, Boc-beta-Ala-PAM resin, extent of labeling: ~0.5 mmol/g loading, Boc-b-alanine 4-oxymethylphenylacetamidomethyl resin Mesh Size 100-200, Substitution 0.3-0.8 meq/g, 1% DVB, 5-Bromopyridine-2,3-diol, C8H15NO3, -CARBAMICACIDTERT-BUTYLESTER, CID10910051, 874784-10-8,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.105g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.212g/mol
Monoisotopic Mass	173.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code	\N

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