CAS No.33545-98-1,BOC-1,4-DIAMINOBUTANE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33545-98-1
Name:	BOC-1,4-DIAMINOBUTANE HYDROCHLORIDE
Article Data:	4

Formula:	C₉H₂₁ClN₂O₂
Molecular Weight:	224.731
Synonyms:	Carbamicacid, (4-aminobutyl)-, 1,1-dimethylethyl ester, monohydrochloride (9CI);Carbamic acid, (4-aminobutyl)-, tert-butyl ester, monohydrochloride (8CI);4-(tert-Butoxycarbonylamino)butylamine hydrochloride;
EINECS:	1312995-182-4
Boiling Point:	292.9 °C at 760 mmHg
Flash Point:	130.9 °C
PSA:	64.35000
LogP:	3.14320

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Specification

This chemical is called Carbamic acid, N-(4-aminobutyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1), and its systematic name is 4-[(tert-butoxycarbonyl)amino]butan-1-aminium chloride. With the molecular formula of C₉H₂₁ClN₂O₂, its molecular weight is 224.73. The CAS registry number of this chemical is 33545-98-1. Additionally, it should be stored at 2-8°C.

Other characteristics of the Carbamic acid, N-(4-aminobutyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -1.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 130.9 °C; (14)Enthalpy of Vaporization: 53.24 kJ/mol; (15)Boiling Point: 292.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00179 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].O=C(OC(C)(C)C)NCCCC[NH3+]
2.InChI: InChI=1/C9H20N2O2.ClH/c1-9(2,3)13-8(12)11-7-5-4-6-10;/h4-7,10H2,1-3H3,(H,11,12);1H
3.InChIKey: GWPFSBFDCMJTSD-UHFFFAOYAN