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CAS No.: | 68076-36-8 |
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Name: | tert-Butyl N-(4-aminobutyl)carbamate |
Article Data: | 140 |
Molecular Structure: | |
Formula: | C9H20N2O2 |
Molecular Weight: | 188.27 |
Synonyms: | N-(tert-Butoxycarbonyl)putrescine;N-Boc-butane-1,4-diamine;N-tert-Butoxycarbonyl-1,4-diaminobutane;tert-Butyl4-aminobutylcarbamate;tert-Butyl N-(4-aminobutyl)carbamate;Carbamicacid, (4-aminobutyl)-, 1,1-dimethylethyl ester (9CI);1,1-Dimethylethyl(4-aminobutyl)carbamate;1-Amino-4-[(tert-butoxycarbonyl)amino]butane;1-[(tert-Butoxycarbonyl)amino]-4-aminobutane;4-(tert-Butoxycarbonylamino)butylamine;4-Aminobutylcarbamic acid tert-butylester;4-[(tert-Butoxycarbonyl)amino]-1-butylamine;N-(4-Aminobutyl)carbamicacid tert-butyl ester;N-(4-Aminobutyl)carbamic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-1,4-butanediamine; |
Density: | 0.975 g/cm3 |
Boiling Point: | 292.872 °C at 760 mmHg |
Flash Point: | 130.924 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 64.35000 |
LogP: | 2.34120 |
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The Carbamic acid,N-(4-aminobutyl)-, 1,1-dimethylethyl ester with the CAS number 68076-36-8 is also called 1,1-Dimethylethyl(4-aminobutyl)carbamate. Both the systematic name and IUPAC name are tert-butyl N-(4-aminobutyl)carbamate. Its molecular formula is C9H20N2O2. This chemical belongs to the following product categories: (1)Pharmacetical; (2)Monoprotected Diaminoalkanes; (3)N-Boc-diaminoalkanes.
The properties of the Carbamic acid,N-(4-aminobutyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 64.35 Å2; (11)Index of Refraction: 1.457; (12)Molar Refractivity: 52.615 cm3; (13)Molar Volume: 193.12 cm3; (14)Polarizability: 20.858×10-24cm3; (15)Surface Tension: 34.205 dyne/cm; (16)Enthalpy of Vaporization: 53.24 kJ/mol; (17)Vapour Pressure: 0.002 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCCCN
(2)InChI: InChI=1/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)
(3)InChIKey: ZFQWJXFJJZUVPI-UHFFFAOYAX