CAS No.75178-96-0,N-Boc-1,3-propanediamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	75178-96-0
Name:	N-Boc-1,3-propanediamine
Article Data:	2

Formula:	C₈H₁₈N₂O₂
Molecular Weight:	174.243
Synonyms:	Carbamicacid, (3-aminopropyl)-, 1,1-dimethylethyl ester (9CI);(3-Aminopropyl)-carbamicacid tert-butyl ester;1,1-Dimethylethyl (3-aminopropyl)carbamate;1-[(tert-Butoxycarbonyl)amino]-3-aminopropane;2-methylpropan-2-yl(3-aminopropyl)carbamate;3-Aminopropylcarbamic acid 1,1-dimethylethyl ester;3-Aminopropylcarbamic acidtert-butyl ester;N-(3-Aminopropyl)carbamic acidtert-butyl ester;N-(tert-Butyloxycarbonyl)-1,3-propanediamine;N-tert-Butoxycarbonyl-1,3-diaminopropane;tert-Butyl N-(3-aminopropyl)carbamate;
EINECS:	628-600-3
Density:	0.986 g/cm³
Melting Point:	22 °C(lit.)
Boiling Point:	271.748 °C at 760 mmHg
Flash Point:	118.149 °C
Appearance:	low-melting solid
Hazard Symbols:	C
Risk Codes:	22-34
Safety:	26-36/37/39-45
Transport Information:	UN 3259 8/PG 3
PSA:	64.35000
LogP:	1.95110

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Specification

The N-Boc-1,3-propanediamine, with the CAS registry number 75178-96-0, is also known as tert-Butyl N-(3-aminopropyl)carbamate. It belongs to the product categories of N-Boc; Amines and Anilines; Pharmacetical; Monoprotected Diaminoalkanes; N-Boc-diaminoalkanes. This chemical's molecular formula is C₈H₁₈N₂O₂ and molecular weight is 174.24. What's more, its systematic name is 2-Methyl-2-propanyl (3-aminopropyl)carbamate. Its classification code is Mutation data. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and acids.

Physical properties of N-Boc-1,3-propanediamine are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.36; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 64.35 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 47.983 cm³; (15)Molar Volume: 176.613 cm³; (16)Polarizability: 19.022×10^-24cm³; (17)Surface Tension: 34.25 dyne/cm; (18)Density: 0.987 g/cm³; (19)Flash Point: 118.149 °C; (20)Enthalpy of Vaporization: 51 kJ/mol; (21)Boiling Point: 271.748 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

Preparation: this chemical can be prepared by propane-1,3-diamine and di-tert-butyl dicarbonate at the ambient temperature. This reaction will need solvent CHCl₃ with the reaction time of 2 hours. The yield is about 86%.

N-Boc-1,3-propanediamine can be prepared by propane-1,3-diamine and di-tert-butyl dicarbonate at the ambient temperature

Uses of N-Boc-1,3-propanediamine: it can be used to produce [3-(3-cyano-propylamino)-propyl]-carbamic acid tert-butyl ester at the temperature of 45 °C. It will need reagents KF, Celite and solvent acetonitrile with the reaction time of 24 hours. The yield is about 76%.

N-Boc-1,3-propanediamine can be used to produce [3-(3-cyano-propylamino)-propyl]-carbamic acid tert-butyl ester at the temperature of 45 °C

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCCCN
(2)Std. InChI: InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)
(3)Std. InChIKey: POHWAQLZBIMPRN-UHFFFAOYSA-N