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N-PROP-2-YNYLUREA

N-PROP-2-YNYLUREA structure

CAS No:
5221-62-5
Formula:
C4H6N2O
Chemical Name:
N-PROP-2-YNYLUREA
Synonyms:
2-Propynylurea;1-Propargylurea;PROP-2-YNYLUREA;N-PROP-2-YNYLUREA;1-(Prop-2-ynyl)urea;1-(Prop-2-yn-1-yl)urea
Categories:
Chemical Reagents > Organic Reagents

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N-PROP-2-YNYLUREA Basic Attributes

Molecular Weight：

98.1

Exact Mass：

98.048012

DSSTox ID：

DTXSID50380405

HScode：

2924199090

Characteristics

PSA：

55.1

XLogP3：

-0.9

Density：

1.1±0.1 g/cm3

Melting Point：

130 °C

Boiling Point：

181.629°C at 760 mmHg

Flash Point：

63.6±25.1 °C

Refractive Index：

1.493

Safety Information

hazard class code：

36/37/38-22

safety instructions：

26-36/37/39

Marks：

Xi,Xn

Hazard note：

Irritant

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:98.10
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:98.048012819
Monoisotopic Mass:98.048012819
Topological Polar Surface Area:55.1
Heavy Atom Count:7
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes