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3-Aminocoumarin

3-Aminocoumarin structure

CAS No:
1635-31-0
Formula:
C9H7NO2
Chemical Name:
3-Aminocoumarin
Synonyms:
2H-1-Benzopyran-2-one,3-amino-;Coumarin,3-amino-;3-Amino-2H-1-benzopyran-2-one;3-Aminocoumarin;3-Amino-2H-chromen-2-one;3-Amino-chromen-2-one;3-Aminochromen-2-one
Categories:
Chemical Reagents > Organic Reagents

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3-Aminocoumarin Basic Attributes

Molecular Weight：

161.16

Exact Mass：

161.16

BRN：

128033

EC Number：

216-659-4

UNII：

PC6801C293

DSSTox ID：

DTXSID60167603

HScode：

29322010

Characteristics

PSA：

52.3

XLogP3：

1.17

Appearance：

Solid

Density：

1.313±0.06 g/cm3(Predicted)

Melting Point：

130 °C

Boiling Point：

355.2±31.0 °C(Predicted)

Flash Point：

199.3±22.4 °C

Refractive Index：

1.624

Vapor Pressure：

3.17E-05mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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

Computed Properties

Molecular Weight:161.16
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:52.3
Heavy Atom Count:12
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes