Home Other Building Blocks 62334-09-2
62334-09-2,MFCD03701575
Catalog No.:AA003IGJ
62334-09-2 | 3,4-Methylenedioxyphenethyl isocyanate
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Purity
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250mg
95.0%
3 weeks  
$149.00   $104.00
- +
500mg
95.0%
3 weeks  
$209.00   $147.00
- +
1g
95.0%
3 weeks  
$290.00   $203.00
- +
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Technical Information
Catalog Number:
AA003IGJ
Chemical Name:
3,4-Methylenedioxyphenethyl isocyanate
CAS Number:
62334-09-2
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD03701575
IUPAC Name:
5-(2-isocyanatoethyl)-1,3-benzodioxole
InChI:
InChI=1S/C10H9NO3/c12-6-11-4-3-8-1-2-9-10(5-8)14-7-13-9/h1-2,5H,3-4,7H2
InChI Key:
PMNWWZBYKGUQPZ-UHFFFAOYSA-N
SMILES:
O=C=NCCc1ccc2c(c1)OCO2
Properties
Computed Properties
 
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
3,4-Methylenedioxyphenethyl isocyanate 
62334-09-2 
AKOS015912908 
5-(2-isocyanatoethyl)-1,3-benzodioxole 
1,3-Benzodioxole, 5-(2-isocyanatoethyl)- 
TC-169988 
3,4-Methylenedioxyphenethyl isocyanate, 97% 
I14-47632 
CID4418606 
5-(2-isocyanatoethyl)benzo[1,3]dioxole 
34-METHYLENEDIOXYPHENETHYLISOCYANATE 
5-(2-isocyanatoethyl)-2H-1,3-benzodioxole 
ACMC-20ane5 
AC1N9Z10 
SCHEMBL1856004 
CTK2C2110 
DTXSID90403081 
PMNWWZBYKGUQPZ-UHFFFAOYSA-N 
ZINC2509893 
Literature
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