(1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine

Catalog Number	ACM1092064044-1
CAS	1092064-04-4
Structure
Synonyms	(1S,2S)-1-((4S)-3H-Dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1-phenylpropan-2-amine
IUPAC Name	(1S,2S)-1-phenyl-1-(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-yl)propan-2-amine
Molecular Weight	445.54
Molecular Formula	C31H28NP
InChI	BHRXRWRXVSJNML-JCOAXYOVSA-N
InChI Key	InChI=1S/C31H28NP/c1-21(32)31(24-11-3-2-4-12-24)33-19-25-17-15-22-9-5-7-13-27(22)29(25)30-26(20-33)18-16-23-10-6-8-14-28(23)30/h2-18,21,31H,19-20,32H2,1H3/t21-,31+/m0/s1
Boiling Point	673.1±55.0 °C(Predicted)
Melting Point	>300°C
Purity	98%
Appearance	Solid
Isomeric SMILES	C[C@@H]([C@H](C1=CC=CC=C1)P2CC3=C(C4=CC=CC=C4C=C3)C5=C(C2)C=CC6=CC=CC=C65)N
pKa	9.00±0.10(Predicted)

Q&A

What is the IUPAC name of (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

(1S,2S)-1-phenyl-1-(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-yl)propan-2-amine

What is the molecular formula of (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

C31H28NP

What is the molecular weight of (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

445.5g/mol

What is the canonical SMILES of (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

CC(C(C1=CC=CC=C1)P2CC3=C(C4=CC=CC=C4C=C3)C5=C(C2)C=CC6=CC=CC=C65)N

What is the CAS number of (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

1092064-04-4

How many heavy atoms are present in (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

33

What is the XLogP3 value of (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

6.1

How many rotatable bonds are present in (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

3

How many hydrogen bond acceptors are present in (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

1

What is the InChI key of (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]phosphepin-4-yl]-1-phenylpropan-2-amine?

BHRXRWRXVSJNML-JCOAXYOVSA-N