2-Bromo-4-isopropylaniline

• CAS: 51605-97-1
• Catalog Number: ACM51605971
• Category: Bromine Series
• Molecular Weight: 214.1
• Molecular Formula: C9H12BrN
• Synonyms: 2-Bromo-4-isopropylaniline, ZINC00159789, CID521337, ST5408570, 51605-97-1
• IUPAC Name: 2-bromo-4-propan-2-ylaniline
• Canonical SMILES: CC(C)C1=CC(=C(C=C1)N)Br
• InChI Key: WEMDUNBELVTSRP-UHFFFAOYSA-N
• Boiling Point: 116ºC
• Flash Point: 116-118°C/3mm
• Density: 1.35
• Exact Mass: 213.01500
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: III
• Safety Description: S36/37

Custom Q&A

What is the molecular formula of 2-Bromo-4-isopropylaniline?

The molecular formula of 2-Bromo-4-isopropylaniline is C9H12BrN.

What is the molecular weight of 2-Bromo-4-isopropylaniline?

The molecular weight of 2-Bromo-4-isopropylaniline is 214.10 g/mol.

When was 2-Bromo-4-isopropylaniline created?

2-Bromo-4-isopropylaniline was created on March 27, 2005.

What is the CAS number of 2-Bromo-4-isopropylaniline?

The CAS number of 2-Bromo-4-isopropylaniline is 51605-97-1.

What is the InChIKey of 2-Bromo-4-isopropylaniline?

The InChIKey of 2-Bromo-4-isopropylaniline is WEMDUNBELVTSRP-UHFFFAOYSA-N.

What is the XLogP3-AA value of 2-Bromo-4-isopropylaniline?

The XLogP3-AA value of 2-Bromo-4-isopropylaniline is 3.1.

How many hydrogen bond donor counts does 2-Bromo-4-isopropylaniline have?

2-Bromo-4-isopropylaniline has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-Bromo-4-isopropylaniline have?

2-Bromo-4-isopropylaniline has 1 hydrogen bond acceptor count.

How many rotatable bond counts does 2-Bromo-4-isopropylaniline have?

2-Bromo-4-isopropylaniline has 1 rotatable bond count.

Is 2-Bromo-4-isopropylaniline a canonicalized compound?

Yes, 2-Bromo-4-isopropylaniline is a canonicalized compound.