AG002I3L

189232-42-6 | 1-Propanol, 3-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-

AG002I3L

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CAS Number	189232-42-6
Catalog Number	AG002I3L(AGN-PC-0JK68N)
Chemical Name	1-Propanol, 3-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-
IUPAC Name	3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
InChI	InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
InChI Key	OPQGFIAVPSXOBO-UHFFFAOYSA-N
MDL Number	MFCD04974145
Molecular Formula	C18H24N6O
Molecular Weight	340.4228
SMILES	C(C1=CC=CC=C1)NC1=C2N=CN(C2=NC(=N1)NCCCO)C(C)C
Synonyms	6-benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine, bohemine, bohemine, 189232-42-6, 3-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)propan-1-ol, 3-{[6-(benzylamino)-9-(propan-2-yl)-9h-purin-2-yl]amino}propan-1-ol, CHEMBL83980, CHEBI:86007, [6-Benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine, 2-(3-Hydroxypropylamino)-6-benzylamino-9-isopropylpurine, 2-[(3-hydroxypropyl)amino]-6-benzylamino-9-isopropylpurine, 3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol, 3-{[6-(benzylamino)-9-isopropyl-9H-purin-2-yl]amino}propan-1-ol, 1-Propanol, 3-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-, purine deriv. 1, AC1L1DN2, GTPL5938, SCHEMBL1443403, BDBM10633, CTK8A4395, AOB6160, DTXSID00274365, EX-A931, OPQGFIAVPSXOBO-UHFFFAOYSA-N, HMS3229C10, BCP15150, ZINC2002752, HSCI1_000064, IN1403, MFCD04974145, Bohemine, >=95% (HPLC), powder, AKOS026750317, CCG-206821, NCGC00165739-01, RT-011804, FT-0700250, J-012209, BRD-K38622899-001-01-4, 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol, 6-(benzylamino)-2-[(3-hydroxypropyl)amino]-9-isopropylpurine, 3-{[6-(Benzylamino)-9-Isopropyl-9H-Purin-2-Yl]Amino}-1-Propanol, D07ADR, CID2422, A15942, C118034, 6-benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine,

Complexity	390
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	340.201g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	340.431g/mol
Monoisotopic Mass	340.201g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	87.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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

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