4-Guanidinobenzoic acid hydrochloride

• CAS: 42823-46-1
• Catalog Number: ACM42823461
• Category: Main Products
• Molecular Weight: 215.64
• Molecular Formula: C₈H₁₀ClN₃O₂
• Synonyms: 4-GUANIDOBENZOIC ACID HYDROCHLORIDE;4-GUANIDINOBENZOIC ACID HCL;4-GUANIDINOBENZOIC ACID HYDROCHLORIDE;TIMTEC-BB SBB003396;N-(4-CARBOXYPHENYL)GUANIDINE HYDROCHLORIDE;4-GUANIDINOBENZOIC ACID HCL CRYST;4-GUANIDINOBENZOIC ACID HYDROCHLORIDE, 9 9%;4-GUANIDINOBENZOIC ACID HYDROCHLORIDE 95+%
• IUPAC Name: 4-(diaminomethylideneamino)benzoicacid;hydrochloride
• Canonical SMILES: C1=CC(=CC=C1C(=O)O)N=C(N)N.Cl
• InChI Key: YETFLAUJROGBMC-UHFFFAOYSA-N
• Boiling Point: 438.4ºC at 760 mmHg
• Melting Point: 285°C (dec.)(lit.)
• Flash Point: 218.9ºC
• Appearance: white, light yellow crystalline
• EC Number: 255-956-3
• Exact Mass: 215.04600
• Safety Description: 24/25
• Stability: Stable under normal temperatures and pressures.
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Guanidinobenzoic acid hydrochloride?

The molecular formula is C8H10ClN3O2.

What are the synonyms of 4-Guanidinobenzoic acid hydrochloride?

The synonyms are N-(4-Carboxyphenyl)guanidine hydrochloride, 4-Guanidinobenzoic acid HCl, 4-guanidinobenzoic acid hydrochloride salt.

What is the molecular weight of 4-Guanidinobenzoic acid hydrochloride?

The molecular weight is 215.64 g/mol.

What is the parent compound of 4-Guanidinobenzoic acid hydrochloride?

The parent compound is 4-Guanidinobenzoic acid.

What is the structure of 4-Guanidinobenzoic acid hydrochloride?

The structure can be viewed at [link]

What is the IUPAC name of 4-Guanidinobenzoic acid hydrochloride?

The IUPAC name is 4-(diaminomethylideneamino)benzoic acid;hydrochloride.

What is the InChI of 4-Guanidinobenzoic acid hydrochloride?

The InChI is InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H.

What is the InChIKey of 4-Guanidinobenzoic acid hydrochloride?

The InChIKey is YETFLAUJROGBMC-UHFFFAOYSA-N.

What is the CAS number of 4-Guanidinobenzoic acid hydrochloride?

The CAS number is 42823-46-1.

What is the hydrogen bond donor count of 4-Guanidinobenzoic acid hydrochloride?

The hydrogen bond donor count is 4.

Synthetic Use

Upstream Synthesis Route 1

• 420-04-2
• 150-13-0

• 42823-46-1

Reference: [1] Patent: US2010/29638, 2010, A1, . Location in patent: Page/Page column 62

Upstream Synthesis Route 2

• 156-62-7
• 150-13-0

• 42823-46-1

Reference: [1] Patent: CN106543041, 2017, A, . Location in patent: Paragraph 0023-0037

Upstream Synthesis Route 3

• 1627898-15-0

• 42823-46-1

Reference: [1] European Journal of Organic Chemistry, 2014, vol. 2014, # 17, p. 3565 - 3569

Downstream Synthesis Route 1

• 120-47-8
• 42823-46-1

• 89022-08-2

Reference: [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 514 - 519

Downstream Synthesis Route 2

• 148-24-3
• 42823-46-1

• 89022-10-6

Reference: [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 514 - 519

Downstream Synthesis Route 3

• 150-19-6
• 42823-46-1

• 79126-26-4

Reference: [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 514 - 519

* For details of the synthesis route, please refer to the original source to ensure accuracy.