CAS No.67151-63-7,1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67151-63-7
Name:	1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol

Formula:	C₁₃H₃₁N₃O
Molecular Weight:	245.40
Synonyms:	1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol;Jeffcat ZR 50;N,N-Bis(3-dimethylaminopropyl)isopropanolamine;PC CAT NP 15;Texacat ZR 50;ZR 50;1-(Bis(3-(dimethylamino)propyl)amino)propan-2-ol;2-propanol, 1-[bis[3-(dimethylamino)propyl]amino]-;
EINECS:	266-587-2
Density:	0.933 g/cm³
Boiling Point:	326.6 °C at 760 mmHg
Flash Point:	119.3 °C
Solubility:	100g/L at 20℃
Hazard Symbols:	C
Risk Codes:	20/21/22-34
Safety:	23-26-27-36/37/39-45
Transport Information:	UN 2735 8/PG 3
PSA:	29.95000
LogP:	0.57260

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Specification

The 1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol, with the CAS registry number 67151-63-7 and EINECS registry number 266-587-2, has the systematic name and IUPAC name of 1-{bis[3-(dimethylamino)propyl]amino}propan-2-ol. It belongs to the following product categories: Tertiary Amines; Amine Monomers; Monomers. And the molecular formula of the chemical is C₁₃H₃₁N₃O.

The characteristics of 1-[Bis[3-(dimethylamino)propyl]amino]-2-propanol are as followings: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.43; (4)ACD/LogD (pH 7.4): -3.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 18.95 Å²; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 74.93 cm³; (15)Molar Volume: 262.7 cm³; (16)Polarizability: 29.7×10^-24cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 0.933 g/cm³; (19)Flash Point: 119.3 °C; (20)Enthalpy of Vaporization: 65.92 kJ/mol; (21)Boiling Point: 326.6 °C at 760 mmHg; (22)Vapour Pressure: 1.63E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and it may also cause burns. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Wear suitable protective clothing, gloves and eye/face protection; Take off immediately all contaminated clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(CN(CCCN(C)C)CCCN(C)C)C
(2)InChI: InChI=1/C13H31N3O/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5/h13,17H,6-12H2,1-5H3
(3)InChIKey: NWDRKFORNVPWLY-UHFFFAOYAQ