[1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamic acid Phenylmethyl Ester

Modify Date: 2025-09-04 02:16:24

[1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamic acid Phenylmethyl Ester Structure
[1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamic acid Phenylmethyl Ester structure
 Common Name [1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamic acid Phenylmethyl Ester
CAS Number 402616-41-5 Molecular Weight 441.60300
Density 1.091g/cm3 Boiling Point 624.7ºC at 760 mmHg
Molecular Formula C27H39NO4 Melting Point N/A
MSDS N/A Flash Point 331.6ºC

 Names

Name [1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamic acid Phenylmethyl Ester
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.091g/cm3
Boiling Point 624.7ºC at 760 mmHg
Molecular Formula C27H39NO4
Molecular Weight 441.60300
Flash Point 331.6ºC
Exact Mass 441.28800
PSA 78.79000
LogP 5.56290
Index of Refraction 1.551
InChIKey WHZSMGMWROULJR-UHFFFAOYSA-N
SMILES CCCCCCCCc1ccc(CCC(CO)(CO)NC(=O)OCc2ccccc2)cc1

 Synthetic Route

Benzyl chloroformate structure

Benzyl chloroformate

CAS#:501-53-1

Fingolimod structure

Fingolimod

CAS#:162359-55-9

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[1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamic acid Phenylmethyl Ester Structure

[1,1-Bis(hydrox...

CAS#:402616-41-5

Literature: Hale, Jeffrey J.; Yan, Lin; Neway, William E.; Hajdu, Richard; Bergstrom, James D.; Milligan, James A.; Shei, Gan-Ju; Chrebet, Gary L.; Thornton, Rosemary A.; Card, Deborah; Rosenbach, Mark; Hughrosen; Mandala, Suzanne Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 18 p. 4803 - 4807

 Synonyms

benzyl N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]carbamate
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Chemsrc provides CAS#:402616-41-5 MSDS, density, melting point, boiling point, structure, etc. Its name is [1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamic acid Phenylmethyl Ester>> amp version: [1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamic acid Phenylmethyl Ester

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