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4-Amino-3-penten-2-one

4-Amino-3-penten-2-one structure

CAS No:
1118-66-7
Formula:
C5H9NO
Chemical Name:
4-Amino-3-penten-2-one
Synonyms:
3-Penten-2-one,4-amino-;4-Amino-3-penten-2-one;2-Acetyl-1-amino-1-methylethylene;2-Amino-2-penten-4-one;Acetylacetonamine;Fluoral P;2-Amino-4-oxo-2-pentene;1-Acetyl-2-amino-1-propene;2-Amino-2-pentene-4-one;NSC 44500
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

YELLOW TO BROWN CRYSTALLINE SOLID

4-Amino-3-penten-2-one Basic Attributes

Molecular Weight：

99.13

Exact Mass：

99.13

BRN：

1209344

EC Number：

-0

HScode：

29223990

Characteristics

PSA：

43.1

Density：

1.0343 (rough estimate)

Melting Point：

43 °C

Boiling Point：

110-115 °C @ Press: 10 Torr

Flash Point：

209-213°C

Refractive Index：

1.4370 (estimate)

Water Solubility：

Insoluble

Storage Conditions：

0-6°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

36/37/39-26-22

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:99.13
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:99.068413911
Monoisotopic Mass:99.068413911
Topological Polar Surface Area:43.1
Heavy Atom Count:7
Complexity:105
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Amino-3-penten-2-one

CAS No.: 1118-66-7

Content: 99.00%

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