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7-Deazaxanthine

7-Deazaxanthine structure

CAS No:
39929-79-8
Formula:
C6H5N3O2
Chemical Name:
7-Deazaxanthine
Synonyms:
1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione;7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol;7-Deazaxanthine;1,7-Dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Pink to Brown Solid

7-Deazaxanthine Basic Attributes

Molecular Weight：

151.12

Exact Mass：

151.12

EC Number：

609-755-6

DSSTox ID：

DTXSID90473683

HScode：

2933990090

Characteristics

PSA：

XLogP3：

-1.03

Density：

1.8±0.1 g/cm3

Melting Point：

>330 °C @ Solvent: Water

Boiling Point：

607.6±58.0 °C at 760 mmHg

Flash Point：

321.2±32.3 °C

Refractive Index：

1.863

Storage Conditions：

-20°C Freezer

Safety Information

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

7-deazaxanthine

Computed Properties

Molecular Weight:151.12
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Exact Mass:151.038176411
Monoisotopic Mass:151.038176411
Topological Polar Surface Area:74
Heavy Atom Count:11
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol

CAS No.: 39929-79-8

Content: 99.00%

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