-
Name
Carbamic acid, [(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester
- EINECS 1806241-263-5
- CAS No. 144282-37-1
- Density 1.129 g/cm3
- Solubility
- Melting Point
- Formula C18H26N2O2
- Boiling Point 420.48 °C at 760 mmHg
- Molecular Weight 302.40
- Flash Point 208.099 °C
- Transport Information
- Appearance White to off-white powder
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Urethane
- PSA 45.06000
- LogP 3.31800
Carbamic acid, [(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester Specification
This chemical is called Carbamic acid, [(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester, and its systematic name is tert-butyl N-[(4S)-6-benzyl-6-azaspiro[2.4]heptan-4-yl]carbamate. With the molecular formula of C18H26N2O2, its molecular weight is 302.40. The CAS registry number of this chemical is 144282-37-1.
Other characteristics of the Carbamic acid, [(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 102; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 87.617 cm3; (15)Molar Volume: 267.828 cm3; (16)Polarizability: 34.734×10-24cm3; (17)Surface Tension: 45.631 dyne/cm; (18)Density: 1.129 g/cm3; (19)Flash Point: 208.099 °C; (20)Enthalpy of Vaporization: 67.435 kJ/mol; (21)Boiling Point: 420.48 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)NC1CN(CC12CC2)Cc3ccccc3
2.InChI: InChI=1/C18H26N2O2/c1-17(2,3)22-16(21)19-15-12-20(13-18(15)9-10-18)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m1/s1 3.InChIKey: UCBLMUMETZZNIZ-OAHLLOKOBM
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