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1-Pyrenemethanol

1-Pyrenemethanol structure

CAS No:
24463-15-8
Formula:
C17H12O
Chemical Name:
1-Pyrenemethanol
Synonyms:
1-Pyrenemethanol;1-(1-Hydroxymethyl)pyrene;1-Hydroxymethylpyrene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Pyrenemethanol Basic Attributes

Molecular Weight：

232.28

Exact Mass：

232.28

UNII：

C76UX3EH8M

DSSTox ID：

DTXSID90179219

Characteristics

PSA：

20.2 Å²

Density：

1.321±0.06 g/cm3

Melting Point：

123-124 °C

Boiling Point：

455.2±14.0 °C(Predicted)

PKA：

14.36±0.10

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39-24/25

RTECS Number：

UR2457242

Drug Information

Metabolism/Metabolites：

1-hydroxymethylpyrene has known human metabolites that include 1-Sulfooxymethylpyrene.

MeSH Entry Terms：

1-hydroxymethyl-pyren

Computed Properties

Molecular Weight:232.28
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:232.088815002
Monoisotopic Mass:232.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:18
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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