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99281-90-0

Basic Information
CAS No.: 99281-90-0
Name: (S)-BOC-2-AMINO-3-PHENYL-PROPIONITRILE
Article Data: 25
Molecular Structure:
Molecular Structure of 99281-90-0 ((S)-BOC-2-AMINO-3-PHENYL-PROPIONITRILE)
Formula: C14H18 N2 O2
Molecular Weight: 246.309
Synonyms: Carbamicacid, (1-cyano-2-phenylethyl)-, 1,1-dimethylethyl ester, (S)-; Carbamic acid, [(1S)-1-cyano-2-phenylethyl]-,1,1-dimethylethyl ester (9CI)
EINECS: 250-274-2
Density: 1.107 g/cm3
Boiling Point: 424 °C at 760 mmHg
Flash Point: 210.3 °C
Solubility: at 25 deg C (mg/L): 438.6
PSA: 62.12000
LogP: 3.03688
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Chemistry

Systematic Name: tert-Butyl [(1S)-1-cyano-2-phenylethyl]carbamate
Synonyms of (S)-N-Boc-phenylalaninenitrile (CAS NO.99281-90-0): tert-Butyl (S)-1-cyano-2-phenylethylcarbamate
CAS NO: 99281-90-0
Molecular Formula: C14H18N2O2
Molecular Weight: 246.30
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 53.33 Å2
Index of Refraction: 1.517
Molar Refractivity: 68.8 cm3
Molar Volume: 227.3 cm3
Surface Tension: 41.1 dyne/cm
Density: 1.083 g/cm3
Flash Point: 201.3 °C
Enthalpy of Vaporization: 66.13 kJ/mol
Boiling Point: 409.2 °C at 760 mmHg
Vapour Pressure: 6.62E-07 mmHg at 25°C
Storage temp: Store at 0-5°C
SMILES: O=C(OC(C)(C)C)N[C@H](C#N)Cc1ccccc1
InChI: InChI=1/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
InChIKey: PMCZSKSPRUQIOF-LBPRGKRZBB
Std. 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
Std. InChIKey: PMCZSKSPRUQIOF-LBPRGKRZSA-N
Product Categories of (S)-N-Boc-phenylalaninenitrile (CAS NO.99281-90-0): Aromatic