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4-(aminomethyl)chroman-4-ol

4-(aminomethyl)chroman-4-ol structure

CAS No:
146471-52-5
Formula:
C10H13NO2
Chemical Name:
4-(aminomethyl)chroman-4-ol
Synonyms:
4-(aminomethyl)chroman-4-ol;2H-1-BENZOPYRAN-4-OL, 4-(AMINOMETHYL)-3,4-DIHYDRO-;4-(AMINOMETHYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-OL;ACMC-20a3xf;4-Aminomethyl-chroman-4-ol;SCHEMBL1333426;SCHEMBL9724427;CTK0B2404;DTXSID00512850;7260AA

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4-(aminomethyl)chroman-4-ol Basic Attributes

Molecular Weight：

179.21572

Exact Mass：

179.09500

DSSTox ID：

DTXSID00512850

HScode：

2932999099

Characteristics

PSA：

55.5

XLogP3：

1.31570

Density：

1'+-.0.06 g/cm3(Predicted)

Boiling Point：

343.4±35.0 °C(Predicted)

Flash Point：

161.5ºC

Refractive Index：

1.589

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:179.22
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:179.094628657
Monoisotopic Mass:179.094628657
Topological Polar Surface Area:55.5
Heavy Atom Count:13
Complexity:186
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(aminomethyl)chroman-4-ol

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-(aminomethyl)chroman-4-ol

SDS

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