(S)-N-Boc-3-amino-3-phenylpropan-1-ol supplier

Name
(S)-N-BOC-3-AMINO-3-PHENYL-PROPAN-1-OL
EINECS
CAS No. 718611-17-7
Article Data21
CAS DataBase
Density 1.083 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₁NO₃
Boiling Point 404.6 °C at 760 mmHg
Molecular Weight 251.326
Flash Point 198.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, [(1S)-3-hydroxy-1-phenylpropyl]-, 1,1-dimethylethyl ester (9CI);(S)-N-Boc-3-amino-3-phenylpropan-1-ol;Boc-(S)-3-amino-3-phenylpropan-1-ol;
PSA 58.56000
LogP 3.02570

(S)-N-Boc-3-amino-3-phenylpropan-1-ol Specification

The systematic name of (S)-N-Boc-3-amino-3-phenylpropan-1-ol is tert-butyl [(1S)-3-hydroxy-1-phenylpropyl]carbamate. With the CAS registry number 718611-17-7, it is also named as Carbamic acid, N-[(1S)-3-hydroxy-1-phenylpropyl]-, 1,1-dimethylethyl ester. In addition, its molecular formula is C₁₄H₂₁NO₃ and molecular weight is 251.32.

The other characteristics of (S)-N-Boc-3-amino-3-phenylpropan-1-ol can be summarized as: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 38.77 Å²; (7)Index of Refraction: 1.519; (8)Molar Refractivity: 70.47 cm³; (9)Molar Volume: 231.8 cm³; (10)Polarizability: 27.93×10^-24cm³; (11)Surface Tension: 40.7 dyne/cm; (12)Density: 1.083 g/cm³; (13)Flash Point: 198.5 °C; (14)Enthalpy of Vaporization: 69.19 kJ/mol; (15)Boiling Point: 404.6 °C at 760 mmHg; (16)Vapour Pressure: 2.84E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)N[C@H](c1ccccc1)CCO
(2)InChI: InChI=1/C14H21NO3/c1-14(2,3)18-13(17)15-12(9-10-16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1
(3)InChIKey: SMEMODSNLZWKBF-LBPRGKRZBU

Product Name

(S)-N-BOC-3-AMINO-3-PHENYL-PROPAN-1-OL

(S)-N-Boc-3-amino-3-phenylpropan-1-ol Specification

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