AG003SSZ

121102-88-3 | N-Boc-2-bromo-1-propanamine

AG003SSZ

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CAS Number	121102-88-3
Catalog Number	AG003SSZ(AGN-PC-001HEE)
Chemical Name	N-Boc-2-bromo-1-propanamine
IUPAC Name	tert-butyl N-(2-bromopropyl)carbamate
InChI	InChI=1S/C8H16BrNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChI Key	KHFDEFLMWSUKAS-UHFFFAOYSA-N
MDL Number	MFCD24167156
Molecular Formula	C8H16BrNO2
Molecular Weight	238.1221
SMILES	CC(Br)CNC(OC(C)(C)C)=O
Synonyms	N-Boc-2-bromo-1-propanamine, 121102-88-3, tert-butyl N-(2-bromopropyl)carbamate, Carbamic acid, (2-bromopropyl)-, 1,1-dimethylethyl ester, tert-butyl (2-bromopropyl)carbamate, SCHEMBL3526275, KHFDEFLMWSUKAS-UHFFFAOYSA-N, KS-00000D4E, 7225AJ, MFCD24167156, AKOS025243972, TRA0100711, AS-32501, DA-47180, SY028850, FT-0766751, Z-3793, MFCD24167156 (95+%), C8H16BrNO2,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.036g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	238.125g/mol
Monoisotopic Mass	237.036g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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