Carbamic acid,N-[2-(4-bromophenyl)ethyl]-,1,1-dimethylethyl ester supplier

Name
N-BOC-2-(4-BROMO-PHENYL)-ETHYLAMINE
EINECS
CAS No. 120157-97-3
Article Data48
CAS DataBase
Density 1.287 g/cm³
Solubility
Melting Point 58-59 °C
Formula C₁₃H₁₈BrNO₂
Boiling Point 389.6 °C at 760 mmHg
Molecular Weight 300.195
Flash Point 189.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, [2-(4-bromophenyl)ethyl]-,1,1-dimethylethyl ester (9CI);2-(4-Bromophenyl)-N-(t-butoxycarbonyl)ethylamine;N-Boc-4-bromophenethylamine;N-[2-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester;tert-ButylN-[2-(4-bromophenyl)ethyl]carbamate;
PSA 38.33000
LogP 3.90720

Carbamic acid,N-[2-(4-bromophenyl)ethyl]-,1,1-dimethylethyl ester Specification

The CAS registry number of Carbamic acid,N-[2-(4-bromophenyl)ethyl]-,1,1-dimethylethyl ester is 120157-97-3. The IUPAC name is tert-butyl N-[2-(4-bromophenyl)ethyl]carbamate. In addition, the molecular formula is C₁₃H₁₈BrNO₂ and the molecular weight is 300.19. What's more, it should be stored in a cool and dry place.

Physical properties about Carbamic acid,N-[2-(4-bromophenyl)ethyl]-,1,1-dimethylethyl ester are: (1)ACD/LogP: 3.73; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 742; (5)ACD/BCF (pH 7.4): 742; (6)ACD/KOC (pH 5.5): 3948; (7)ACD/KOC (pH 7.4): 3948; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.33 Å²; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 71.992 cm³; (14)Molar Volume: 233.316 cm³; (15)Polarizability: 28.54 ×10^-24cm³; (16)Surface Tension: 38.472 dyne/cm; (17)Density: 1.287 g/cm³; (18)Flash Point: 189.415 °C; (19)Enthalpy of Vaporization: 63.894 kJ/mol; (20)Boiling Point: 389.586 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(CCNC(=O)OC(C)(C)C)cc1
(2)InChI: InChI=1/C13H18BrNO2/c1-13(2,3)17-12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
(3)InChIKey: MRQBIMZMDWOQLF-UHFFFAOYAF

Product Name

N-BOC-2-(4-BROMO-PHENYL)-ETHYLAMINE

Carbamic acid,N-[2-(4-bromophenyl)ethyl]-,1,1-dimethylethyl ester Specification

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