4DD

(2R)-4-phenylbutan-2-amine

Created:	2015-03-04
Last modified:	2016-04-06

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1 entries where 4DD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	6

2D diagram of 4DD

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Chemical Component Summary
Name	(2R)-4-phenylbutan-2-amine
Systematic Name (OpenEye OEToolkits)	(2R)-4-phenylbutan-2-amine
Formula	C₁₀ H₁₅ N
Molecular Weight	149.233
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CCc1ccccc1)(N)C
SMILES	CACTVS	3.385	C[CH](N)CCc1ccccc1
SMILES	OpenEye OEToolkits	1.9.2	CC(CCc1ccccc1)N
Canonical SMILES	CACTVS	3.385	C[C@@H](N)CCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@H](CCc1ccccc1)N
InChI	InChI	1.03	InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m1/s1
InChIKey	InChI	1.03	WECUIGDEWBNQJJ-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	2734033

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