4-Amino-1-butanol

HCID 25868CAS 13325-10-5

Basic information

Standard SMILES
NCCCCO
InChIKey
BLFRQYKZFKYQLO-UHFFFAOYSA-N
Molecular formula
C4H11NO
Average molar mass
89.14 g/mol
Monoisotopic mass
89.08406397

Overview

structure given in first source

Names & identifiers

Preferred name
4-Amino-1-butanol
IUPAC
4-aminobutan-1-ol
English name
4-Amino-1-butanol
Molecular formula
C4H11NO
Molecular weight
89.14

Names & synonyms

4-Amino-1-butanol13325-10-54-AminobutanolDTXSID70158027RefChem:518207DTXCID7080518236-364-44-aminobutan-1-ol1-BUTANOL, 4-AMINO-4-AMINO-BUTAN-1-OLMFCD000082304-hdyroxybutylamine
Show more names
BUTANOLAMINE4-hydroxybutan-1-aminiumSKL271N-ABU(4)-OLH-ABUT(4)-OLNH2-(CH2)4-OH2-AcetyLhiophene
4-Hydroxy-n-butylaminebutane, 1-amino-4-hydroxy-4-amino-butanol4amino-1-butanol4-Aminobutanol-14-hydroxybutylamineEINECS 236-364-44-amino 1-butanol

Database identifiers

CAS
13325-10-5
PubChem CID
25868
DTXSID
DTXSID70158027
EC Number
236-364-4
Nikkaji
J50.239A

Properties

Computed structural properties

XLogP
-1.1
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
6

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point
16 · 16-18 °C (lit.)
Boiling point
206 °C · 206 °C (lit.)
Density
0.967 g/mL · 0.967 g/mL at 25 °C (lit.)
refractive index
20 · n20/D ~1.462(lit.)
Flash point
226 °F · 226 °F
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (12.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 1-Butanol, 4-amino-
Hazard Classes and CategoriesAcute Tox. 4 (12.7%)

Safety data

F
34
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 2735 8/PG 3
hs_code
29221980
risk_code
34-22

Chemistry & industry

Applications · 3 items

Description4-Amino-1-butanol (4AB) is an important pharmaceutical intermediate compound and a precursor of biodegradable polymers for gene delivery. It can be used in organic synthesis and biological properties studies, among others. In addition, 4-Amino-1-butanol (4AB) has been shown to have a higher CO2 solubility than 2-amino-1-ethanol (MEA), which is potentially useful in solving problems related to flue gas purification[1-2].

Uses4-Amino-1-butanol is a useful intermediate in a variety of organic synthesis. It is mainly used in personal-care products, preparation of water soluble cationic flocculants and ion exchange resins as well as in the preparation of beta-lactam antibiotics. It is used for the production of efficient anionic emulsifiers, nonionic polyethylene emulsions, water treatment, metal treatment and absorption of carbon dioxide gas. It is used as a pigment dispersion aid and curing agent in selected textile -resins.

Uses4-Amino-1-butanol was used:As a linker in the synthesis of highly branched poly(β-amino esters)(HPAEs) for gene delivery.As a side chain to modulate antimicrobial and hemolytic activities of copolymers.In the total synthesis of (+)-fawcettimine,(+)-fawcettidine, and ()-lycojapodine A.

Preparation methods · 1 item

Preparation4-Amino-1-butanol (4AB) can be prepared by microbiological methods. we report for the first time the fermentative production of 4AB from glucose by metabolically engineered Corynebacterium glutamicum harboring a newly designed pathway comprising a putrescine (PUT) aminotransferase (encoded by ygjG) and an aldehyde dehydrogenase (encoded by yqhD) from Escherichia coli, which convert PUT to 4AB. Application of several metabolic engineering strategies such as fine-tuning the expression levels of ygjG and yqhD, eliminating competing pathways, and optimizing culture condition further improved 4AB production. Fed-batch culture of the final metabolically engineered C. glutamicum strain produced 24.7g/L of 4AB[1].

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

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