tert-butyl N-(4-aminobutyl)carbamate

HCID 4351CAS 68076-36-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCCCN
InChIKey
ZFQWJXFJJZUVPI-UHFFFAOYSA-N
Molecular formula
C9H20N2O2
Average molar mass
188.27 g/mol

Names & identifiers

Preferred name
tert-butyl N-(4-aminobutyl)carbamate
IUPAC
tert-butyl N-(4-aminobutyl)carbamate
English name
tert-Butyl N-(4-aminobutyl)carbamate
Molecular formula
C9H20N2O2
Molecular weight
188.27

Names & synonyms

tert-Butyl N-(4-aminobutyl)carbamateRefChem:896108629-298-668076-36-8N-Boc-1,4-butanediamineN-Boc-1,4-diaminobutanetert-Butyl (4-aminobutyl)carbamatetert-butyl 4-aminobutylcarbamateNH2-C4-NH-Boc1-Boc-amino-1,4-butanediamineMFCD00210019N-(tert-Butoxycarbonyl)-1,4-diaminobutane
Show more names
BOC-DAB HCLAURORA KA-4397Boc-NH-(CH2)4-NH2BUTTPARK 121\06-09RARECHEM AR PA 0023
Carbamic acid, (4-aminobutyl)-, 1,1-dimethylethyl estertert-butyl(4-aminobutyl)carbamateN-(4-Aminobutyl)carbamic Acid tert-Butyl Ester4-aminobutylcarbamic acid tert-butyl esterN-(4-aminobutyl)carbamic acid t-butyl esterN-(4-Aminobutyl)carbamic Acid 1,1-Dimethylethyl EsterGC10192N-(tert-Butoxycarbonyl)-1,4-butanediamine

Database identifiers

CAS
68076-36-8
PubChem CID
4351
ChEMBL
CHEMBL3356838
EC Number
629-298-6
Nikkaji
J793.451C

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
13

Physicochemical properties

Boiling point
292.9 · 292.9±23.0 °C(Predicted)
Density
0.984 g/mL · 0.984 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.460
Flash point
109 °C · 109 °C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform, DMSO, Methanol

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (87.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (87.5%)

Safety data

F
10-34
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 2735 8/PG 3
hs_code
29241990
risk_code
34-24

Chemistry & industry

Applications

UsesN-Boc-1,4-diaminobutane is used in preparation of pharmacologically active compounds, preparation of spermidine analogues and in introduction of a C4-spacer. It serve as intermediates of medicine.

Usessuzuki reaction

Upstream & downstream products

Suppliers50 total

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]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

186 records
New reaction record

Linked notes

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