(S)-1-Phenylethane-1,2-diamine

Catalog Number	ACM62779708-1
CAS	62779-70-8
Synonyms	(S)-1-Phenyl-1,2-ethylenediamine; (S)-1,2-Diamino-1-phenylethane
IUPAC Name	(1S)-1-phenylethane-1,2-diamine
Molecular Weight	136.19
Molecular Formula	C8H12N2
InChI	CRVBQABBEKLFIN-MRVPVSSYSA-N
InChI Key	InChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6,9-10H2/t8-/m1/s1
Purity	98%
Isomeric SMILES	C1=CC=C(C=C1)[C@@H](CN)N

Q&A

What is the molecular formula of (S)-1-Phenylethane-1,2-diamine?

The molecular formula is C8H12N2.

What is the exact mass of (S)-1-Phenylethane-1,2-diamine?

The exact mass is 136.100048391.

What is the IUPAC name of (S)-1-Phenylethane-1,2-diamine?

The IUPAC name is (1S)-1-phenylethane-1,2-diamine.

How many covalently-bonded units are present in (S)-1-Phenylethane-1,2-diamine?

There is 1 covalently-bonded unit.

What is the computed topological polar surface area of (S)-1-Phenylethane-1,2-diamine?

The topological polar surface area is 52.

What is the complexity of (S)-1-Phenylethane-1,2-diamine?

The complexity is 87.3.

What is the Canonical SMILES of (S)-1-Phenylethane-1,2-diamine?

The Canonical SMILES is C1=CC=C(C=C1)C(CN)N.

What is the XLogP3 value of (S)-1-Phenylethane-1,2-diamine?

The XLogP3 value is -0.1.

What is the InChIKey of (S)-1-Phenylethane-1,2-diamine?

The InChIKey is CRVBQABBEKLFIN-MRVPVSSYSA-N.