4-(Dimethylamino)butan-1-ol

HCID 83350CAS 13330-96-6

기본 정보

표준 SMILES: CN(C)CCCCO
InChIKey: QCTOLMMTYSGTDA-UHFFFAOYSA-N
분자식: C6H15NO
평균 분자량: 117.19 g/mol
단동위원소 질량: 117.1153641

이름 및 식별자

우선 이름: 4-(Dimethylamino)butan-1-ol
IUPAC: 4-(dimethylamino)butan-1-ol
영어명: 4-Dimethylamino-1-butanol
분자식: C6H15NO
분자량: 117.19

이름 및 동의어

4-(Dimethylamino)butan-1-olEINECS 236-380-1DTXSID20158052NSC 165645RefChem:515970DTXCID4080543236-380-113330-96-64-Dimethylamino-1-butanol4-(Dimethylamino)-1-butanol1-Butanol, 4-(dimethylamino)-4-Dimethylaminobutan-1-ol

이름 더 보기

dimethylaminobutanol4-DIMETHYLAMINO BUTANOL-14-DIMETHYLAMINO-1-BUTANOL 98%4-Dimethylamino-1-butanol >4-DIMETHYLAMINO-1-BUTANOL USP/EP/BP

MFCD00020624SCHEMBL94134-(N,N-dimethylamino)butanol4-(N,N-dimethylamino]butan-1-olCS-W022016D1659O11091EN300-1852954

데이터베이스 식별자

CAS: 13330-96-6
PubChem CID: 83350
DTXSID: DTXSID20158052
EC Number: 236-380-1
Nikkaji: J208.391D

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 45

물리화학적 성질

끓는 점: 188 °C · 188°C
밀도: 0 · 0,88 g/cm3
굴절률: 1.439 · 1.4390-1.4420
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 15.13 · 15.13±0.10(Predicted)
색상: 무색 내지 거의 무색
InChI: InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKey: QCTOLMMTYSGTDA-UHFFFAOYSA-N
SMILES: C(O)CCCN(C)C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.