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

Name
(R)-N-BOC-3-AMINO-3-PHENYL-PROPAN-1-OL
EINECS
CAS No. 158807-47-7
Article Data8
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 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (3-hydroxy-1-phenylpropyl)-, 1,1-dimethylethyl ester, (R)-;Carbamic acid,[(1R)-3-hydroxy-1-phenylpropyl]-, 1,1-dimethylethyl ester (9CI);(R)-N-Boc-3-amino-3-phenylpropan-1-ol;Boc-R-3-amino-3-phenylpropan-1-ol;
PSA 58.56000
LogP 3.02570

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

The systematic name of (R)-N-Boc-3-amino-3-phenylpropan-1-ol is tert-butyl [(1R)-3-hydroxy-1-phenylpropyl]carbamate. With the CAS registry number 158807-47-7, it is also named as Carbamic acid,[(1R)-3-hydroxy-1-phenylpropyl]-, 1,1-dimethylethyl ester (9CI). In addition, its molecular formula is C₁₄H₂₁NO₃ and its molecular weight is 251.32.

The other characteristics of can be summarized as: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.2; (6)ACD/BCF (pH 7.4): 42.2; (7)ACD/KOC (pH 5.5): 507; (8)ACD/KOC (pH 7.4): 506.98; (9)H bond acceptors: 4; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 70.47 cm³; (15)Molar Volume: 231.8 cm³; (16)Polarizability: 27.93×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.083 g/cm³; (19)Flash Point: 198.5 °C; (20)Enthalpy of Vaporization: 69.19 kJ/mol; (21)Boiling Point: 404.6 °C at 760 mmHg; (22)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-/m1/s1
(3)InChIKey:SMEMODSNLZWKBF-GFCCVEGCBE
(4)Std. InChI:InChI=1S/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-/m1/s1
(5)Std. InChIKey:SMEMODSNLZWKBF-GFCCVEGCSA-N

Product Name

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

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

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