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1-Methylhydantoin

1-Methylhydantoin structure

CAS No:
616-04-6
Formula:
C4H6N2O2
Chemical Name:
1-Methylhydantoin
Synonyms:
2,4-Imidazolidinedione,1-methyl-;Hydantoin,1-methyl-;1-Methyl-2,4-imidazolidinedione;Dioxy-creatinine;1-Methylhydantoin;1-Methylimidazolidine-2,4-dione;NSC 80560
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

N-Methylhydantoin is a product of degradation of creatinine by bacteria.

Solid

N-methylhydantoin is a imidazolidine-2,4-dione that is the N-methyl-derivative of hydantoin. It has a role as a bacterial metabolite. It derives from a hydantoin.

1-Methylhydantoin Basic Attributes

Molecular Weight：

114.104

Exact Mass：

114.10

EC Number：

210-460-6

UNII：

0546H9UR1R

NSC Number：

80560

DSSTox ID：

DTXSID90210595

HScode：

2933990090

Characteristics

PSA：

49.4

XLogP3：

-1.148

Appearance：

Solid

Density：

1.284 g/cm3

Melting Point：

156-157 °C

Refractive Index：

1.491

Water Solubility：

Soluble in methanol. (almost transparency). Insoluble in water.

Safety Information

wgk germany：

safety instructions：

S24/25

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 90 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-methylhydantoin

Computed Properties

Molecular Weight:114.10
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:114.042927438
Monoisotopic Mass:114.042927438
Topological Polar Surface Area:49.4
Heavy Atom Count:8
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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