4,4-Diethoxybutylamine

HCID 80672CAS 6346-09-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(CCCN)OCC
InChIKey
GFLPSABXBDCMCN-UHFFFAOYSA-N
Molecular formula
C8H19NO2
Average molar mass
161.24 g/mol
Monoisotopic mass
161.14157885

Names & identifiers

Preferred name
4,4-Diethoxybutylamine
IUPAC
4,4-diethoxybutan-1-amine
English name
4,4-Diethoxybutylamine
Molecular formula
C8H19NO2
Molecular weight
161.24

Names & synonyms

4,4-diethoxybutan-1-amine4,4-Diethoxybutylamine6346-09-41-Butanamine, 4,4-diethoxy-4,4-Diethoxy-1-butanamineDTXSID20212880855N4XY7X8NSC-43756EINECS 228-753-2NSC 43756AI3-28711RefChem:507220
Show more names
RARECHEM AL BW 21404,4-Diethoxybutylamine>1-amino-4,4-diethoxybutane4-aminobutanal diethyl acetal4-aminobutyraldehyde diethanoly-AminobutyraldehydeDiethylAcetal
DTXCID50135371228-753-24-Aminobutyraldehyde diethyl acetalMFCD00008227AmBDA4-aminobutyraldehyde diethylacetalSCHEMBL135621UNII-855N4XY7X8

Database identifiers

CAS
6346-09-4
PubChem CID
80672
DTXSID
DTXSID20212880
UNII
855N4XY7X8
EC Number
228-753-2
Nikkaji
J81.198J

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
11

Physicochemical properties

Boiling point
196 °C · 196 °C (lit.)
Density
0.933 g/mL · 0.933 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.428(lit.)
Flash point
145 °F · 145 °F
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Chloroform (Sparingly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (20.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (79.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (79.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (79.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Butanamine, 4,4-diethoxy-

1-Butanamine, 4,4-diethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (20.8%)；Skin Irrit. 2 (79.2%)；Eye Irrit. 2 (79.2%)；STOT SE 3 (79.2%)

Regulatory information

Regulatory Information · 2 items

Chemical: 1-Butanamine, 4,4-diethoxy-

1-Butanamine, 4,4-diethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
10-34
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
2735
hs_code
29221990
risk_code
36/37/38

Chemistry & industry

Upstream & downstream products

Suppliers50 total

北京京宇复瑞科技集团有限责任公司010-83694934 13671295325
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

Related reactions

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Linked notes

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