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1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1) structure

CAS No:
5743-12-4
Formula:
C8H10N4O2.H2O
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-,hydrate (1:1);Caffeine,monohydrate;1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-,monohydrate

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Description

White or almost white, crystalline powder or silky, white or almost white crystals.

Caffeine monohydrate is a hydrate. It contains a caffeine.

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1) Basic Attributes

Molecular Weight：

212.20600

Exact Mass：

212.09100

EC Number：

611-527-6

UNII：

9T65I06326

DSSTox ID：

DTXSID50206015

HScode：

29393000

Characteristics

PSA：

71.05000

Density：

1.23

Melting Point：

344-346 °C

Boiling Point：

416.8ºC at 760 mmHg

Flash Point：

205.9ºC

Water Solubility：

21.46g/L(25 ºC)

Safety Information

Transport codes：

UN 1544 6

wgk germany：

hazard class code：

safety instructions：

16-36/37-45

RTECS Number：

EV6475000

Marks：

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1) Use and Manufacturing

Stimulant (central).

Computed Properties

Molecular Weight:212.21
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:212.09094026
Monoisotopic Mass:212.09094026
Topological Polar Surface Area:59.4
Heavy Atom Count:15
Complexity:293
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Learn More Other Chemicals

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, compd. with (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol (1:?)

94406-06-1

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Guide of 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)

SDS

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