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CAS No.: | 61175-77-7 |
---|---|
Name: | butyltripropylammonium bromide |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13H30BrN |
Molecular Weight: | 280.292 |
Synonyms: | 1-Butanaminium,N,N,N-tripropyl-, bromide (9CI);Butyltripropylammonium bromide; |
EINECS: | 262-637-2 |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 0.00000 |
LogP: | 0.83730 |
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The 1-Butanaminium,N,N,N-tripropyl-, bromide (1:1), with the CAS registry number 61175-77-7, is also known as N,N,N-Tripropylbutan-1-aminium bromide. Its EINECS registry number is 262-637-2. This chemical's molecular formula is C13H30BrN and molecular weight is 280.288. What's more, its IUPAC name is called Butyl(tripropyl)azanium bromide.
Physical properties about 1-Butanaminium,N,N,N-tripropyl-, bromide (1:1) are: (1)ACD/LogP: -2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.17; (8)ACD/KOC (pH 7.4): 1.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 0 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES: [Br-].C([N+](CCC)(CCC)CCCC)CC
(2) InChI: InChI=1/C13H30N.BrH/c1-5-9-13-14(10-6-2,11-7-3)12-8-4;/h5-13H2,1-4H3;1H/q+1;/p-1
(3) InChIKey: SXUONWAMSFNGTD-REWHXWOFAN