Home Nitriles (S)-Boc-2-amino-3-phenyl-propionitrile

(S)-Boc-2-amino-3-phenyl-propionitrile

CAS No.:
99281-90-0
Catalog Number:
AG00IK94
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 99% (HPLC)
1 week
United States
$126
- +
1g
≥ 99% (HPLC)
1 week
United States
$213
- +
5g
≥ 99% (HPLC)
1 week
United States
$842
- +
10g
≥ 99% (HPLC)
1 week
United States
$1493
- +
Product Description
Catalog Number:
AG00IK94
Chemical Name:
(S)-Boc-2-amino-3-phenyl-propionitrile
CAS Number:
99281-90-0
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
MDL Number:
MFCD03094753
IUPAC Name:
tert-butyl N-[(1S)-1-cyano-2-phenylethyl]carbamate
InChI:
InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3,(H,16,17)/t12-/m0/s1
InChI Key:
PMCZSKSPRUQIOF-LBPRGKRZSA-N
SMILES:
N#C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties