| CAS Number | 1229444-44-3 |
| Catalog Number | AG000JSV(AGN-PC-0WANQX) |
| Chemical Name | Pyrrolidinium, 1-[[4-(diphenylphosphino)phenyl]methyl]-1-methyl-, bromide (1:1) |
| IUPAC Name | [4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]-diphenylphosphane;bromide |
| InChI | InChI=1S/C24H27NP.BrH/c1-25(18-8-9-19-25)20-21-14-16-24(17-15-21)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23;/h2-7,10-17H,8-9,18-20H2,1H3;1H/q+1;/p-1 |
| InChI Key | JKJSVXHLMBCNPA-UHFFFAOYSA-M |
| MDL Number | MFCD16295188 |
| Molecular Formula | C24H27BrNP |
| Molecular Weight | 440.3556 |
| SMILES | C[N+]1(CC2=CC=C(P(C3=CC=CC=C3)C4=CC=CC=C4)C=C2)CCCC1.[Br-] |
| Synonyms | 1229444-44-3,
1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide,
1-(4-(Diphenylphosphino)benzyl)-1-methylpyrrolidin-1-ium bromide,
ACMC-209anr,
CTK8A9531,
DTXSID70693701,
ANW-18085,
MFCD16295188,
AKOS025294203,
TC-106830,
M2103,
I01-21077,
1-{[4-(Diphenylphosphanyl)phenyl]methyl}-1-methylpyrrolidin-1-ium bromide,
JKJSVXHLMBCNPA-UHFFFAOYSA-M,
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| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 439.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.365g/mol |
| Monoisotopic Mass | 439.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302+H312+H332-H315-H319
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Packing Group
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Precautionary statements
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P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P332+P313-P362-P301+P312+P330-P302+P352+P312-P304+P340+P312
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UN Code
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Certificate of Analysis
Lot Number