AG0035AL

4005-49-6 | N-(9H-Purin-6-yl)benzamide

AG0035AL

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CAS Number	4005-49-6
Catalog Number	AG0035AL(AGN-PC-0O9Y38)
Chemical Name	N-(9H-Purin-6-yl)benzamide
IUPAC Name	N-(7H-purin-6-yl)benzamide
InChI	InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18)
InChI Key	QQJXZVKXNSFHRI-UHFFFAOYSA-N
MDL Number	MFCD00037927
Molecular Formula	C12H9N5O
Molecular Weight	239.2328
NSC Number	98641
SMILES	N=1C=NC2=NC=NC2C1NC(C1=CC=CC=C1)=O
UNII	7BQB2WI1II
Synonyms	N6-benzoyladenine, 4005-49-6, N-(7H-purin-6-yl)benzamide, N6-Benzoyladenine, N-(9H-Purin-6-yl)benzamide, N-Benzoylaminopurine, 6-Benzoylaminopurine, 6-Benzamidopurine, n-benzoyladenine, Benzamide, N-1H-purin-6-yl-, C12H9N5O, UNII-7BQB2WI1II, MFCD00037927, 7BQB2WI1II, QQJXZVKXNSFHRI-UHFFFAOYSA-N, AK-86192, phenyl-N-purin-6-ylcarboxamide, NSC 98641, N4-Benzoyladenine, adenine,6N-benzoyl, N6-benzoyl adenine, 6-N-Benzoyladenine, N-6-Benzoyladenine, N4-Benzoyl adenine, 6-benzoylaminop-urine, Adenine, N-benzoyl-, PubChem9262, N6 -benzoylaminopurine, ACMC-20aiy9, N-BENZOYL ADENINE, ACMC-209ja7, AC1L3XS3, NCIOpen2_006654, Oprea1_166069, Oprea1_719434, SCHEMBL23123, 6-(Benzoylamino)-9H-purine, N6-Benzoyladenine, >=99%, 6-(N-benzoylamino)purine, 2, CHEMBL525721, Jsp006931, N-(9H-Purin-6-yl)-benzamide, BDBM85771, CTK7F8460, DTXSID90193112, EBD3179, Benzamide, N1-(9H-6-purinyl), N-(9H-Purin-6-yl)benzamide #, ZINC343673, NSC98641, ANW-29261, ANW-75487, NSC-98641, SBB059040, STL220128, AKOS000656111, AKOS005257638, AKOS028109455, CB-3102, CS-W014659, MCULE-3495338883, PS-3427, RL03531, TRA0090352, VZ33455, NCGC00168548-01, NCGC00168548-02, ACM4005496|1, AJ-20001, AT-13825, BAS 00485745, M734, N-(9H-purin-6-yl)benzamide, AldrichCPR, SY040636, AB0015366, AX8017060, TC-118006, TC-164232, TL8002894, FT-0629736, ST24031341, ST45243911, MFCD00037927 (97%), J10147, M-1732, 005B496, AC-907/34131053, SR-01000314702, SR-01000314702-1, W-202654, N- benzamide, N6-Benzoylaminopurine, N-(5H-purin-6-yl)benzamide, C12-H9-N5-O, CID97075, N-Benzoylaminopurine, 98% - 1G 1g, B3344,

Complexity	305
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.081g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	239.238g/mol
Monoisotopic Mass	239.081g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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