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tert-Butyl N-(4-aminobutyl)carbamate

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Name

tert-Butyl N-(4-aminobutyl)carbamate

EINECS N/A
CAS No. 68076-36-8 Density 0.975 g/cm3
PSA 64.35000 LogP 2.34120
Solubility N/A Melting Point N/A
Formula C9H20N2O2 Boiling Point 292.872 °C at 760 mmHg
Molecular Weight 188.27 Flash Point 130.924 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 68076-36-8 (tert-Butyl N-(4-aminobutyl)carbamate) Hazard Symbols CorrosiveC
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;

Article Data 140

tert-Butyl N-(4-aminobutyl)carbamate Specification

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

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