AG003168

307538-42-7 | 4-Quinazolinamine, 6-bromo-N-2-propen-1-yl-

AG003168

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CAS Number	307538-42-7
Catalog Number	AG003168(AGN-PC-0WAFZL)
Chemical Name	4-Quinazolinamine, 6-bromo-N-2-propen-1-yl-
IUPAC Name	6-bromo-N-prop-2-enylquinazolin-4-amine
InChI	InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
InChI Key	BCPOLXUSCUFDGE-UHFFFAOYSA-N
MDL Number	MFCD02166825
Molecular Formula	C11H10BrN3
Molecular Weight	264.1212
SMILES	C=CCNc1ncnc2c1cc(Br)cc2
Synonyms	SMER28, 307538-42-7, SMER 28, N-Allyl-6-bromoquinazolin-4-amine, SMER-28, 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine, 6-Bromo-N-2-propenyl-4-quinazolinamine, CHEMBL494325, MFCD02166825, 4-Quinazolinamine, 6-bromo-N-2-propen-1-yl-, C11H10BrN3, 3srb, SMR000106755, AC1LTGZ0, CBMicro_021891, SMER26, Cambridge id 6164173, Oprea1_603374, MLS000110826, SCHEMBL13283266, CHEBI:93943, cid_1560402, CTK8E6903, KS-00000TKR, DTXSID10364408, 4-(allylamino)-6-bromoquinazoline, HMS2384I08, HMS3263K19, SMER28 (2), BCP17486, EX-A1017, N-allyl-6-bromo-4-quinazolineamine, ZINC1766166, Tox21_501019, BDBM50257750, CCG-14477, s8240, STK975188, AKOS002262854, SMER28, >99% (HPLC), solid, CS-5731, LP01019, MCULE-7864435735, TRA0028554, NCGC00079175-02, NCGC00261704-01, 6-bromo-N-prop-2-enyl-4-quinazolinamine, 6-bromo-N-prop-2-enylquinazolin-4-amine, AK541286, BCB03_000905, (6-bromoquinazolin-4-yl)prop-2-enylamine, BIM-0021786.P001, HY-100200, RT-015723, B7637, EU-0073802, M3106, ST50182394, PK04_181104, SR-01000453166, CU-01000047511-3, J-018126, SR-01000453166-1, BRD-K08478539-001-01-3, BRD-K08478539-001-02-1, 28S, CID1560402, A15867,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.006g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.126g/mol
Monoisotopic Mass	263.006g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number