AG009LPD

1208170-37-9 | 3-(3-Boc-aminopropyl)aniline

AG009LPD

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CAS Number	1208170-37-9
Catalog Number	AG009LPD(AGN-PC-0WD6U2)
Chemical Name	3-(3-Boc-aminopropyl)aniline
IUPAC Name	tert-butyl N-[3-(3-aminophenyl)propyl]carbamate
InChI	InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-9-5-7-11-6-4-8-12(15)10-11/h4,6,8,10H,5,7,9,15H2,1-3H3,(H,16,17)
InChI Key	HMQFNKDFTUKLPA-UHFFFAOYSA-N
MDL Number	MFCD07644591
Molecular Formula	C14H22N2O2
Molecular Weight	250.3367
SMILES	NC1=CC=CC(CCCNC(OC(C)(C)C)=O)=C1
Synonyms	3-[3-(Boc-amino)propyl]aniline, 1208170-37-9, tert-butyl 3-(3-aminophenyl)propylcarbamate, SCHEMBL3131556, KS-000009ZF, MFCD07644591, AKOS027256594, ZINC142888489, CS-11988, DA-47187, SY034725, FT-0767356, MFCD07644591 (95%), TERT-BUTYL N-[3-(3-AMINOPHENYL)PROPYL]CARBAMATE,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.168g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	250.342g/mol
Monoisotopic Mass	250.168g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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