Related Searches: 1-Boc-3-piperidone, 1-Boc-3-azetidinone, (S)-(-)-1-Boc-3-aminopyrrolidine, (S)-(+)-1-Boc-3-hydroxypyrrolidine, (R)-(+)-1-Boc-3-aminopyrrolidine, View all

1-Boc-3-piperidone(CAS No. 98977-36-7)

1-Boc-3-piperidone C10H17NO3 (cas 98977-36-7) Molecular Structure

98977-36-7 Structure

Identification and Related Records

【Name】
1-Boc-3-piperidone
【CAS Registry number】
98977-36-7
【Synonyms】
tert-butyl 3-oxopiperidine-1-carboxylate
1-N-Boc-3-piperidone
N-Boc-3-piperidinone
N-(tert-Butoxycarbonyl)-3-piperidinone
3-Oxopiperidine, N-BOC protected
N-Boc-3-piperidone
1-Boc-3-piperidone, 98%
Boc-3-piperidone
tert-butyl-3-oxopiperidine-1-carboxylate
3-Oxo-piperidine-1-carboxylic acid tert-butyl ester
【Molecular Formula】
C10H17NO3 (Products with the same molecular formula)
【Molecular Weight】
199.25
【Inchi】
InChI=1/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3
【MOL File】
98977-36-7.mol

Chemical and Physical Properties

【Appearance】
yellow powder
【Density】
1.099 g/cm3
【Melting Point】
35-40℃
【Boiling Point】
289.8 °C at 760 mmHg
【Refractive Index】
1.481
【Flash Point】
>110℃
【Storage temp】
Store at?0-5°C
【Computed Properties】
Molecular Weight:199.24688 [g/mol]
Molecular Formula:C10H17NO3
XLogP3-AA:1
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:199.120843
MonoIsotopic Mass:199.120843
Topological Polar Surface Area:46.6
Heavy Atom Count:14
Formal Charge:0
Complexity:242
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:25

Safety and Handling

【Safety Statements 】
24/25
【HazardClass】
KEEP COLD

Supplier Location

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