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Home > Encyclopedia > 4-tert-Butylcaprolactam

4-tert-Butylcaprolactam

4-tert-Butylcaprolactam structure

4-tert-Butylcaprolactam 

structure
  • CAS No:

    32741-89-2

  • Formula:

    C10H19NO

  • Chemical Name:

    4-tert-Butylcaprolactam

  • Synonyms:

    2H-Azepin-2-one,5-(1,1-dimethylethyl)hexahydro-;2H-Azepin-2-one,5-tert-butylhexahydro-;5-(1,1-Dimethylethyl)hexahydro-2H-azepin-2-one;4-tert-Butylcaprolactam;NSC 128545;104839-59-0

4-tert-Butylcaprolactam Basic Attributes

169.26400

169.26

251-188-8

128545

2933790090

Characteristics

29.10000

2.27760

0.925g/cm3

155-156 °C

140-141 °C @ Press: 1 Torr

172.9ºC

1.451

Safety Information

|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|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

5-tert-butylazepan-2-one

Computed Properties

Molecular Weight:169.26
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:169.146664230
Monoisotopic Mass:169.146664230
Topological Polar Surface Area:29.1
Heavy Atom Count:12
Complexity:169
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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