CAS
954328-84-8 Purity
96%
954328-84-8 Purity
96%
![(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one](https://resource.alfa-chemistry.com/structure/95440-99-6.gif)
Inquiry Basket
1-(5-Bromo-3-pyridinyl)-4-(phenylmethyl)-piperazine
CAS
954388-11-5
Catalog Number
ACM954388115
Category
Other Products
Molecular Weight
332.23822
Molecular Formula
C16H18BrN3
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
1-(5-Bromo-3-pyridinyl)-4-(phenylmethyl)-piperazine
IUPAC Name
1-benzyl-4-(5-bromopyridin-3-yl)piperazine
Canonical SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC(=CN=C3)Br
InChI Key
LJULJEIXEDMQCI-UHFFFAOYSA-N
Exact Mass
331.06800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C16H18BrN3.
What is the molecular weight of the compound?
The molecular weight of the compound is 332.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-benzyl-4-(5-bromopyridin-3-yl)piperazine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H18BrN3/c17-15-10-16(12-18-11-15)20-8-6-19(7-9-20)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2.
What is the InChIKey of the compound?
The InChIKey of the compound is LJULJEIXEDMQCI-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CN(CCN1CC2=CC=CC=C2)C3=CC(=CN=C3)Br.
What is the CAS number of the compound?
The CAS number of the compound is 954388-11-5.
What is the DSSTox Substance ID of the compound?
The DSSTox Substance ID of the compound is DTXSID10704507.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
CAS
95441-50-2 Purity
96%
95441-50-2 Purity
96%
