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Home > Encyclopedia > 1,1-Dimethylethyl 3-(aminomethyl)benzoate

1,1-Dimethylethyl 3-(aminomethyl)benzoate

1,1-Dimethylethyl 3-(aminomethyl)benzoate structure

1,1-Dimethylethyl 3-(aminomethyl)benzoate 

structure
  • CAS No:

    102638-45-9

  • Formula:

    C12H17NO2

  • Chemical Name:

    1,1-Dimethylethyl 3-(aminomethyl)benzoate

  • Synonyms:

    Benzoic acid,3-(aminomethyl)-,1,1-dimethylethyl ester;1,1-Dimethylethyl 3-(aminomethyl)benzoate;3-Aminomethyl-benzoic acid tert-butyl ester;tert-Butyl-3-(aminomethyl)benzoate

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

1,1-Dimethylethyl 3-(aminomethyl)benzoate Basic Attributes

207.26900

207.27

DTXSID10600616

2922499990

Characteristics

52.32000

2.80090

312.689ºC at 760 mmHg

165.77ºC

1.525

0.001mmHg at 25°C

Safety Information

|Danger|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, 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.

Computed Properties

Molecular Weight:207.27
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:207.125928785
Monoisotopic Mass:207.125928785
Topological Polar Surface Area:52.3
Heavy Atom Count:15
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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