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422509-53-3 | (S);-N-(1-Phenylethyl);dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CAS No: 422509-53-3 Catalog No: AG003CNN MDL No:MFCD04973053
Product Description
Catalog Number:
AG003CNN
Chemical Name:
(S);-N-(1-Phenylethyl);dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CAS Number:
422509-53-3
Molecular Formula:
C28H42NO2P
Molecular Weight:
455.6123
MDL Number:
MFCD04973053
IUPAC Name:
N-(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
InChI:
InChI=1S/C28H22NO2P/c1-19(20-9-3-2-4-10-20)29-32-30-25-17-15-21-11-5-7-13-23(21)27(25)28-24-14-8-6-12-22(24)16-18-26(28)31-32/h2-19,29H,1H3
InChI Key:
OXUOPBPAVLQNGC-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)Np1oc2ccc3c(c2c2c(o1)ccc1c2cccc1)cccc3
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.139g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.463g/mol
Monoisotopic Mass:
435.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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