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Hydroxyurethane

Hydroxyurethane structure

CAS No:
589-41-3
Formula:
C3H7NO3
Chemical Name:
Hydroxyurethane
Synonyms:
Carbamic acid,N-hydroxy-,ethyl ester;Carbamic acid,hydroxy-,ethyl ester;NSC-71045;NSC-83629;Hydroxycarbamic acid ethyl ester;Hydroxyurethane;N-Hydroxyurethane;SQ 16819;Ethyl N-hydroxycarbamate;N-Carbethoxyhydroxylamine
Categories:
Chemical Reagents > Organic Reagents

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Description

Yellow Oil

Hydroxyurethane Basic Attributes

Molecular Weight：

105.09

Exact Mass：

105.09

EC Number：

209-648-0

UNII：

QWI3C4ASI7

NSC Number：

83629|71045

DSSTox ID：

DTXSID20207635

HScode：

2924199090

Characteristics

PSA：

58.6

XLogP3：

0.12

Density：

1.2±0.1 g/cm3

Boiling Point：

113-116 °C @ Press: 3 Torr

Flash Point：

>230 °F

Refractive Index：

1.433

Storage Conditions：

−20°C

Toxicity：

LD50 intraperitoneal in rat: 800mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

FB1750000

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ethyl N-hydroxycarbamate

Hydroxyurethane Use and Manufacturing

Metabolite of carcinogenic Urethane (U825300).

Computed Properties

Molecular Weight:105.09
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:105.042593085
Monoisotopic Mass:105.042593085
Topological Polar Surface Area:58.6
Heavy Atom Count:7
Complexity:63.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N-Hydroxyurethane

CAS No.: 589-41-3

Content: 99.00%

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