Diisopromine-d14

CAT: 0926-LBC14053-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-LBC14053-01Size:5 mg

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CAS Number

1286140-53-1

Smiles

CC (C) N (CCC (C1=CC=CC=C1) C2=CC=CC=C2) C (C) C

Molecular Formula

C21H29N

Molecular Weight

309.5 g/mol

Controlled

Chemical Information

Diisopromine-d14

CAS Number	1286140-53-1
PubChem CID	71316110
IUPAC Name	1,1,1,2,3,3,3-heptadeuterio-N-(3,3-diphenylpropyl)-N-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)propan-2-amine
Molecular Formula	C21H29N
Molecular Weight	309.5
XLogP	5.6
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	258

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(C1=CC=CC=C1)C2=CC=CC=C2)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3/i1D3,2D3,3D3,4D3,17D,18D

InChIKey

YBJKOPHEJOMRMN-JXDOJKDFSA-N

Chemical Structure

2D Structure

CAS: 1286140-53-1

CID: 71316110

Formula: C21H29N

MW: 309.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.5
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	309.317874373
Monoisotopic Mass	309.317874373
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	258
Isotope Atom Count	14
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PXB96223-01	Alpidem-d14
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NCA91216-01	Pentacene-d14 (major)
BAA71851-01	P-Terphenyl-d14
WZB81699-01	Rac Tolterodine-d14 hydrochloride
AAA84324-01	Di-p-tolyl-phosphate-d14
KBA78774-01	Di-o-tolyl-phosphate-d14

Catalog	Name
272480-01	Diisopromine
AS16 3694	Anti-D14 \| Strigolactone esterase D14
CS-C-01496	Prometryn-d14 (di-iso-propyl-d14)
P835291	Propazine-d14 (di-iso-propyl-d14)
TRC-E592254-10MG	EPTC-d14 (di-n-propyl-d14)
CS-O-45859	Zalunfiban D14
CS-O-46926	Tolterodine D14
CS-T-95624	Propofol-d14
TMIH-0126-01	Bucladesine-d14
T70841-01	Osteosarcoma-IN-D14