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Home > Encyclopedia > 1-(1,1-Dimethylethyl) 4-(carboxymethylene)-1-piperidinecarboxylate

1-(1,1-Dimethylethyl) 4-(carboxymethylene)-1-piperidinecarboxylate

1-(1,1-Dimethylethyl) 4-(carboxymethylene)-1-piperidinecarboxylate structure

1-(1,1-Dimethylethyl) 4-(carboxymethylene)-1-piperidinecarboxylate 

structure
  • CAS No:

    193085-24-4

  • Formula:

    C12H19NO4

  • Chemical Name:

    1-(1,1-Dimethylethyl) 4-(carboxymethylene)-1-piperidinecarboxylate

  • Synonyms:

    1-Piperidinecarboxylic acid,4-(carboxymethylene)-,1-(1,1-dimethylethyl) ester;1-(1,1-Dimethylethyl) 4-(carboxymethylene)-1-piperidinecarboxylate;4-(Carboxymethylene)piperidine-1-carboxylic acid tert-butyl ester;1-Boc-Piperidin-4-ylideneaceticacid;2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]acetic acid;2-[1-[(tert-Butoxy)carbonyl]piperidin-4-ylidene]acetic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1-(1,1-Dimethylethyl) 4-(carboxymethylene)-1-piperidinecarboxylate Basic Attributes

241.28

241.28

DTXSID70443460

2933399090

Characteristics

66.8

1.67

1.2±0.1 g/cm3

387.0±35.0 °C at 760 mmHg

187.8±25.9 °C

1.564

0mmHg at 25°C

Safety Information

IRRITANT

NONH for all modes of transport

36/37/38-36

26-36/37/39

Xi

P305 + P351 + P338

H319

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:241.28
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:241.13140809
Monoisotopic Mass:241.13140809
Topological Polar Surface Area:66.8
Heavy Atom Count:17
Complexity:331
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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