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Cas Database |
| Name |
N-Boc-(S)-2-amino-3-benzyloxy-1-propanol |
EINECS | N/A |
| CAS No. | 79069-15-1 | Density | 1.105 |
| PSA | 67.79000 | LogP | 2.47970 |
| Solubility | N/A | Melting Point |
66-69 °C(lit.) |
| Formula | C15H23NO4 | Boiling Point | 443.1±40.0 °C(Predicted) |
| Molecular Weight | 281.352 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Carbamicacid, [(1S)-1-(hydroxymethyl)-2-(phenylmethoxy)ethyl]-, 1,1-dimethylethyl ester(9CI);Carbamic acid, [1-(hydroxymethyl)-2-(phenylmethoxy)ethyl]-,1,1-dimethylethyl ester, (S)-;(S)-2-(tert-Butoxycarbonylamino)-3-benzyloxypropanol;1,1-Dimethylethyl[(1S)-2-hydroxy-1-[[(phenylmethyl)oxy]methyl]ethyl]carbamate;Boc-Ser(Bzl)-ol;Boc-Serinol(Bzl); |
Article Data | 31 |
N-Boc-(S)-2-amino-3-benzyloxy-1-propanol Specification
The Carbamic acid,N-[(1S)-1-(hydroxymethyl)-2-(phenylmethoxy)ethyl]-, 1,1-dimethylethyl ester with the CAS number 79069-15-1 is also called Carbamic acid, [1-(hydroxymethyl)-2-(phenylmethoxy)ethyl]-,1,1-dimethylethyl ester, (S)-. The IUPAC name is tert-butyl N-[(2S)-1-hydroxy-3-phenylmethoxypropan-2-yl]carbamate. Its molecular formula is C15H23NO4. This chemical belongs to the following product categories: (1)Amino Acids; (2)Amino Alcohols; (3)Boc-Amino acid series.
Properties of the Carbamic acid,N-[(1S)-1-(hydroxymethyl)-2-(phenylmethoxy)ethyl]-, 1,1-dimethylethyl ester computed from structure: (1)XLogP3-AA: 1.7; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 8; (5)Tautomer Count: 2; (6)Exact Mass: 281.162708; (7)MonoIsotopic Mass: 281.162708; (8)Topological Polar Surface Area: 67.8; (9)Heavy Atom Count: 20; (10)Formal Charge: 0; (11)Complexity: 282; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 1; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Acceptor Count: 3; (19)Feature 3D Donor Count: 2; (20)Feature 3D Hydrophobe Count: 1; (21)Feature 3D Ring Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CO)COCC1=CC=CC=C1
(2)InChI: InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m0/s1
(3)InChIKey: MSIDLARYVJJEQY-ZDUSSCGKSA-N
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