CAS No.132747-20-7,(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132747-20-7
Name:	(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide
Article Data:	2

Formula:	C₅H₁₀N₂.2(HBr)
Molecular Weight:	259.972
Synonyms:	2,5-Diazabicyclo[2.2.1]heptane,dihydrobromide, (1S)-;2,5-Diazabicyclo[2.2.1]heptane, dihydrobromide, (1S,4S)-(9CI);
EINECS:	-0
Melting Point:	300 °C
Boiling Point:	261.8 °C at 760 mmHg
Flash Point:	112.1 °C;
Safety:	22-24/25
PSA:	24.06000
LogP:	1.89390

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Specification

The (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide, with the CAS registry number 132747-20-7, is also known as 2,5-Diazabicyclo[2.2.1]heptane, (1S,4S)-, hydrobromide (1:2). The (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide belongs to the product category of Chiral. This chemical's molecular formula is C₅H₁₀N₂.2(HBr) and molecular weight is 259.97. What's more, its systematic name is also called (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide.

Physical properties about this chemical are: (1) # of Rule of 5 Violations: 0; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 1; (5) ACD/KOC (pH 7.4): 1; (6) #H bond acceptors: 2; (7) #H bond donors: 2; (8) #Freely Rotating Bonds: 0; (9) Polar Surface Area: 24.06 Å²; (10) Flash Point: 112.1 °C; (11) Enthalpy of Vaporization: 51.57 kJ/mol; (12) Boiling Point: 261.8 °C at 760 mmHg; (13) Vapour Pressure: 0.00765 mmHg at 25 °C; (14) Melting Point: 300 °C.

When you are dealing with this chemical, you should be very careful. This chemical should not breathe dust. In addition, you should be cautious about it and avoid contacting with skin and eyes, when you using it.

You can still convert the following datas into molecular structure:
(1) SMILES: Br.Br.C1[C@H]2CN[C@@H]1CN2
(2) InChI: InChI=1/C5H10N2.2BrH/c1-4-2-6-5(1)3-7-4;;/h4-7H,1-3H2;2*1H/t4-,5-;;/m0../s1
(3) InChIKey: ISYQWKOXKGJREA-RSLHMRQOBF