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3589-41-1,MFCD00033175
Catalog No.:AA003SSS
3589-41-1 | Benzyl (cyanomethyl)carbamate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
1 week  
$78.00
- +
5g
95%
1 week  
$102.00
- +
25g
95%
1 week  
$254.00
- +
100g
95%
1 week  
$659.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003SSS
Chemical Name:
Benzyl (cyanomethyl)carbamate
CAS Number:
3589-41-1
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD00033175
IUPAC Name:
benzyl N-(cyanomethyl)carbamate
InChI:
InChI=1S/C10H10N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,12,13)
InChI Key:
DVUXKEFDAGQPQU-UHFFFAOYSA-N
SMILES:
N#CCNC(=O)OCc1ccccc1
NSC Number:
54758
Properties
Computed Properties
 
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
3589-41-1 
Benzyl (cyanomethyl)carbamate 
PubChem16386 
AC1Q4SIU 
Maybridge3_005384 
CYANOMETHYL-CARBAMIC ACID BENZYL ESTER 
Benzyl(cyanomethyl)carbamate 
SCHEMBL854096 
AC1L6D23 
CHEMBL3896749 
DTXSID30288213 
DVUXKEFDAGQPQU-UHFFFAOYSA-N 
N-CARBOBENZOXYAMINOACETONITRILE 
BDBM152724 
HMS1446E16 
BCP27290 
KS-000013HT 
ZINC1685312 
AB3074 
CCG-51212 
Cyanomethylcarbamic Acid Benzyl Ester 
MFCD00033175 
NSC-54758 
Benzyl Cyanomethylcarbamate 
AKOS005203280 
AB01537 
MCULE-5150754784 
VZ33219 
IDI1_016771 
AC-17226 
AJ-29822 
CJ-27829 
N-(Benzyloxycarbonyl)-2-aminoacetonitrile 
FT-0634917 
N-(Carbobenzoxy)aminoacetonitrile 
N-(Benzyloxycarbonyl)-2-aminoacetonitrile, 98% 
Carbamic acid,N-(cyanomethyl)-, phenylmethyl ester 
SR-01000640524-1 
I14-85879 
Z1982493930 
3S9 
AR-1H9548 
CID244143 
ACN-046158 
C1439 
N-Cbz-aminoacetonitrile 
A15524 
40645-23-6 
benzyl N-(cyanomethyl)carbamate 
Carbamic acid, (cyanomethyl)-, phenylmethyl ester 
benzyl n-cyanomethylcarbamate 
NSC54758 
Literature
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