Benzenamine, hydrobromide (1:1)

C6H8BrN — CID 68330

IUPACaniline;hydrobromide
SMILESC1=CC=C(C=C1)N.Br
InChIInChI=1S/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKeyKBPWECBBZZNAIE-UHFFFAOYSA-N
MW174.04 g/mol
LogP—
Rot. Bonds

About Benzenamine, hydrobromide (1:1)

Benzenamine, hydrobromide (1:1) (PubChem CID 68330) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is aniline;hydrobromide.

Molecular Properties

Compound NameBenzenamine, hydrobromide (1:1)
PubChem CID68330
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Nameaniline;hydrobromide
SMILESC1=CC=C(C=C1)N.Br
InChIInChI=1S/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKeyKBPWECBBZZNAIE-UHFFFAOYSA-N
XLogP—
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity46

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Aniline
CID 6115
O-Toluidine
CID 7242
P-Phenylenediamine
CID 7814
Phenylhydrazine
CID 7516
Arsanilic Acid
CID 7389
p-Toluidine
CID 7813
M-Phenylenediamine
CID 7935
N-Phenylhydroxylamine
CID 7518
4-Aminoazobenzene
CID 6051
4-Fluoroaniline
CID 9731
4-Bromoaniline
CID 7807
m-Toluidine
CID 7934

Frequently Asked Questions

What is the IUPAC name of Benzenamine, hydrobromide (1:1)?
The IUPAC name of Benzenamine, hydrobromide (1:1) (CID 68330) is aniline;hydrobromide.
What is the SMILES notation for Benzenamine, hydrobromide (1:1)?
The canonical SMILES for Benzenamine, hydrobromide (1:1) is C1=CC=C(C=C1)N.Br.
What is the InChIKey of Benzenamine, hydrobromide (1:1)?
The InChIKey is KBPWECBBZZNAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H.
What are the key properties of Benzenamine, hydrobromide (1:1)?
Benzenamine, hydrobromide (1:1) has a molecular weight of 174.04 g/mol, XLogP of not available, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Benzenamine, hydrobromide (1:1) is sourced from PubChem (CID 68330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).