6-(deoxyguanosin-N(2)-yl)-3-aminobenzo(a)pyrene

Modify Date: 2025-09-25 22:11:34

6-(deoxyguanosin-N(2)-yl)-3-aminobenzo(a)pyrene Structure
6-(deoxyguanosin-N(2)-yl)-3-aminobenzo(a)pyrene structure
Common Name 6-(deoxyguanosin-N(2)-yl)-3-aminobenzo(a)pyrene
CAS Number 149635-27-8 Molecular Weight 532.54900
Density 1.71g/cm3 Boiling Point 964.4ºC at 760mmHg
Molecular Formula C30H24N6O4 Melting Point N/A
MSDS N/A Flash Point 537ºC

 Names

Name 2-[(3-aminobenzo[a]pyren-6-yl)amino]-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

 Chemical & Physical Properties

Density 1.71g/cm3
Boiling Point 964.4ºC at 760mmHg
Molecular Formula C30H24N6O4
Molecular Weight 532.54900
Flash Point 537ºC
Exact Mass 532.18600
PSA 154.80000
LogP 4.55210
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.878
InChIKey SEXALPSLOUSOAV-YTFSRNRJSA-N
SMILES Nc1ccc2ccc3c4ccccc4c(Nc4nc5c(ncn5C5CC(O)C(CO)O5)c(=O)[nH]4)c4ccc1c2c43
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