CAS
93980-90-6 Purity
---
93980-90-6 Purity
---
![1,4-Benzenedisulfonicacid,2-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-](https://resource.alfa-chemistry.com/structure/93980-98-4.gif)
Inquiry Basket
2-Pyrrolidinemethanamine,N-[[4-(ethylsulfonyl)phenyl]phenylmethyl]-1-methyl-,hydrochloride(1:1)
CAS
93980-95-1
Catalog Number
ACM93980951
Category
Other Products
Molecular Weight
408.98516
Molecular Formula
C21H28N2O2S.ClH
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
EINECS 301-076-0, N-((4-(Ethylsulphonyl)phenyl)benzyl)-1-methylpyrrolidine-2-methylamine monohydrochloride, 93980-95-1
IUPAC Name
1-(4-ethylsulfonylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylmethanamine hydrochloride
Canonical SMILES
CCS(=O)(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC3CCCN3C.Cl
InChI Key
CTNVRBUSYTVCHQ-UHFFFAOYSA-N
Boiling Point
514ºC at 760 mmHg
Flash Point
264.6ºC
EC Number
301-076-0
Exact Mass
408.16400
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 44151015?
C21H29ClN2O2S
What is the molecular weight of the compound?
409.0 g/mol
What is the IUPAC name of the compound?
1-(4-ethylsulfonylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylmethanamine;hydrochloride
What is the Canonical SMILES of the compound?
CCS(=O)(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC3CCCN3C.Cl
What is the CAS number of the compound?
93980-95-1
How many hydrogen bond donor counts does the compound have?
2
How many hydrogen bond acceptor counts does the compound have?
4
What is the topological polar surface area of the compound?
57.8 Ų
How many rotatable bond counts does the compound have?
7
How many undefined atom stereocenter counts does the compound have?
2
Recommended Products
