CAS No.76944-95-1,(S)-(2-OXO-AZEPAN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER Suppliers

Products Categories

Pharmaceutical (22)
Organic Chemicals (5)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	76944-95-1
Name:	(S)-(2-OXO-AZEPAN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Article Data:	24

Formula:	C₁₁H₂₀N₂O₃
Molecular Weight:	228.291
Synonyms:	Carbamicacid, (hexahydro-2-oxo-1H-azepin-3-yl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid, [(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-, 1,1-dimethylethyl ester(9CI);[(3S)-Hexahydro-2-oxo-1H-azepin-3-yl]carbamic acid 1,1-dimethyl ester;
Density:	1.09 g/cm³
Boiling Point:	417.7 °C at 760 mmHg
Flash Point:	206.4 °C
PSA:	67.43000
LogP:	1.89950

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:28 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 76944-95-1

Specification

The Carbamic acid,N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-, 1,1-dimethylethyl ester, with the CAS registry number 76944-95-1, is also known as tert-Butyl [(3S)-2-oxoazepan-3-yl]carbamate. This chemical's molecular formula is C₁₁H₂₀N₂O₃ and molecular weight is 228.29. What's more, its IUPAC name is called tert-Butyl N-[(3S)-2-oxoazepan-3-yl]carbamate.

Physical properties about Carbamic acid,N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.49; (8)ACD/KOC (pH 7.4): 28.48; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 60.19 cm³; (15)Molar Volume: 208.6 cm³; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.09 g/cm³; (18)Flash Point: 206.4 °C; (19)Enthalpy of Vaporization: 67.11 kJ/mol; (20)Boiling Point: 417.7 °C at 760 mmHg; (21)Vapour Pressure: 3.47E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@@H]1C(=O)NCCCC1
(2) InChI: InChI=1/C11H20N2O3/c1-11(2,3)16-10(15)13-8-6-4-5-7-12-9(8)14/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)/t8-/m0/s1
(3) InChIKey: AQKNKAUJTJFUMG-QMMMGPOBBJ